Consensus flow list

Pymetrozine

fo-3f92c43d0636bcb0

Identity

Type
NeutralMolecule
CAS
123312-89-0
EC
602-927-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pymetrozine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
antifeedant CHEBI:22583 A substance that prevents pests from feeding. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QHMTXANCGGJZRX-WUXMJOGZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+
Isomeric SMILES string chemrof:isomeric_smiles_string CC1=NNC(=O)N(/N=C/c2cccnc2)C1
IUPAC name chemrof:IUPAC_name (E)-4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one
Molecular formula chemrof:molecular_formula C10H11N5O
Molecular mass chemrof:molecular_mass 217.232
Monoisotopic mass chemrof:monoisotopic_mass 217.09636
SMILES string chemrof:smiles_string CC1=NNC(=O)N(N=Cc2cccnc2)C1

Known URLs

18

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=123312-89-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39311 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.006 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2032637 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1906026 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F0G3V7874J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J732.142B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18590 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18590 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56228 enrich_references.pubchem_identifier_url
pesticides pesticides:pymetrozine enrich_references.chebi_xrefs
ppdb ppdb:562 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9576037 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16339866 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18330119 enrich_references.chebi_xrefs
reaxys reaxys:7814151 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2119621 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pymetrozine enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1ce61-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a28-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fe824b63-5eb9-47a4-a8f6-38498a1f7ad1 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a27-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a29-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a26-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a24-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a38-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b2ce6a743f8a58025b236e56691cc154430f52be Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9a25-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a2b-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a39-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a2a-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a37-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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