N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

3-Pyridinesulfonamide, N-(5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-
Abak
N-(5,7-Dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-3-pyridinesulfonamide
Palace
Pyroxsulam
TeamMate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GLBLPMUBLHYFCW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)
IUPAC name chemrof:IUPAC_name	N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
Molecular formula chemrof:molecular_formula	C14H13F3N6O5S
Molecular mass chemrof:molecular_mass	434.356
Monoisotopic mass chemrof:monoisotopic_mass	434.062023
SMILES string chemrof:smiles_string	COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=422556-08-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.129.921	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7044344	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N9N7LU19AP	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.920.568J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11571555	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q2266549	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bb8ade26-89c4-4f45-95e3-c72236a65620	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
315fa659-a67c-4300-8da1-535f80338a57	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
99814beb-270d-4d87-8d25-2119bb559ee1	Environmental → Air → Indoor	EF 3.1	kg	4
11672869-e948-43b5-aaee-13cd8504b944	Environmental → Air → Long-term	EF 3.1	kg	0
072c0766-fe46-4fe3-a87b-962543f5f6b9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
c7dd0ca6-134a-4445-9f8f-d29003faf15f	Environmental → Air → Unknown	EF 3.1	kg	4
c2ebb076-90a1-4f63-942a-68886813466b	Environmental → Ground → Agricultural	EF 3.1	kg	4
10f9c01a-c88c-415b-9f00-34d82f129c8f	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
2adcf0521bfe563c0330ca1c5a8b041167d4379e	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
7985954b-4bf1-4cad-8be2-32ffac3ff28b	Environmental → Ground → Unknown	EF 3.1	kg	4
9d948670-77d2-450b-a0d3-d3cd68e6f1cd	Environmental → Water → Long-term	EF 3.1	kg	0
61b7d4f8-ad47-40f5-a970-52cc247aa1c6	Environmental → Water → Ocean	EF 3.1	kg	4
83f51bea-76c5-42d1-ad9a-ee0201b1bd38	Environmental → Water → Surface water	EF 3.1	kg	4
7f740087-58f3-4a44-b21a-ecdc9597bca4	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-c2e9fc513de67f51",
  "prefLabel": [
    {
      "@value": "N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Pyridinesulfonamide, N-(5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422556-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Abak",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422556-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(5,7-Dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-3-pyridinesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422556-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palace",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422556-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyroxsulam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422556-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TeamMate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422556-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H13F3N6O5S"
      ],
      "attested_by": {
        "C14H13F3N6O5S": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11571555"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GLBLPMUBLHYFCW-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "GLBLPMUBLHYFCW-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11571555"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1"
          ]
        }
      ],
      "attested_by": {
        "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide"
        ]
      },
      "attested_by": {
        "N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        434.356
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1"
          ]
        }
      ],
      "attested_by": {
        "434.356": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        434.062023
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1"
          ]
        }
      ],
      "attested_by": {
        "434.062023": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.920.568J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11571555;CAS:422556-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422556-08-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.129.921",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11571555;CAS:422556-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422556-08-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11571555;CAS:422556-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422556-08-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7044344",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11571555;CAS:422556-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422556-08-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N9N7LU19AP",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11571555;CAS:422556-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422556-08-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11571555",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11571555;CAS:422556-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[422556-08-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2266549",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11571555;CAS:422556-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422556-08-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "072c0766-fe46-4fe3-a87b-962543f5f6b9",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "422556-08-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=422556-08-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "610-007-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=610-007-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

N-{5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard