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CHEBI:40036 - amitrole

Default Structure
ChEBI IDCHEBI:40036
ChEBI Nameamitrole
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:1448, CHEBI:40029
Last Modified2 January 2025
DownloadsMolfile
FormulaC2H4N4
Net Charge0
Average Mass84.082
Monoisotopic Mass84.04360
SMILESNc1ncnn1
InChIInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKeyKLSJWNVTNUYHDU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1H-1,2,4-triazol-3-ylamineChemIDplus
2-Amino-1,3,4-triazoleKEGG COMPOUND
3-Amino-1,2,4-triazoleKEGG COMPOUND
3-Amino-1,2,4-triazoleKEGG COMPOUND
3-amino-1H-1,2,4-triazoleChEBI
3-amino-s-triazoleNIST Chemistry WebBook
Manual XrefsDatabases
31PPDB
3TRPDBeChem
amitroleAlan Wood's Pesticides
AmitroleWikipedia
AU2012202062Patent
C11261KEGG COMPOUND
CPD0-1491MetaCyc
LSM-4595LINCS
WO2007147209Patent
Registry NumbersSources
Reaxys:107687Reaxys
Beilstein:107687Beilstein
Gmelin:200706Gmelin
CAS:61-82-5NIST Chemistry WebBook
CAS:61-82-5ChemIDplus
CAS:61-82-5KEGG COMPOUND
Citations