CHEBI:40036 - amitrole

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ChEBI Name amitrole
ChEBI ID CHEBI:40036
Definition A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40029, CHEBI:1448
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Formula C2H4N4
Net Charge 0
Average Mass 84.080
Monoisotopic Mass 84.044
InChI InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey KLSJWNVTNUYHDU-UHFFFAOYSA-N
SMILES N1N=C(N=C1)N
Roles Classification
Biological Role(s): EC 1.11.1.6 (catalase) inhibitor
An inhibitor of peroxidases (EC 1.11.1.*) that inhibits the action of catalase (EC 1.11.1.6).
carotenoid biosynthesis inhibitor
Any pathway inhibitor that acts on the carotenoid biosynthesis pathway.
Application(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing amitrole (CHEBI:40036) has role carotenoid biosynthesis inhibitor (CHEBI:138208)
amitrole (CHEBI:40036) has role EC 1.11.1.6 (catalase) inhibitor (CHEBI:75380)
amitrole (CHEBI:40036) has role herbicide (CHEBI:24527)
amitrole (CHEBI:40036) is a aromatic amine (CHEBI:33860)
amitrole (CHEBI:40036) is a triazoles (CHEBI:35727)
IUPAC Name
1H-1,2,4-triazol-3-amine
Synonyms Sources
1H-1,2,4-triazol-3-ylamine ChemIDplus
2-Amino-1,3,4-triazole KEGG COMPOUND
3-Amino-1,2,4-triazole KEGG COMPOUND
3-Amino-1,2,4-triazole KEGG COMPOUND
3-amino-s-triazole NIST Chemistry WebBook
3-AT ChemIDplus
Aminotriazole KEGG COMPOUND
Amitrole KEGG COMPOUND
Database Links Databases
3TR PDBeChem
amitrole Alan Wood's Pesticides
Amitrole Wikipedia
AU2012202062 Patent
C11261 KEGG COMPOUND
CPD0-1491 MetaCyc
LSM-4595 LINCS
WO2007147209 Patent
View more database links
Registry Numbers Types Sources
107687 Beilstein Registry Number Beilstein
107687 Reaxys Registry Number Reaxys
200706 Gmelin Registry Number Gmelin
61-82-5 CAS Registry Number ChemIDplus
61-82-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11673067 PubMed citation Europe PMC
17549540 PubMed citation Europe PMC
25820916 PubMed citation Europe PMC
7546330 PubMed citation Europe PMC
7986209 PubMed citation Europe PMC
Last Modified
16 August 2017