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CHEBI:38576 - triazamate

ChEBI IDCHEBI:38576
ChEBI Nametriazamate
Stars
DefinitionA triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively.
Last Modified13 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H22N4O3S
Net Charge0
Average Mass314.411
Monoisotopic Mass314.14126
SMILESCCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C
InChIInChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3
InChIKeyNKNFWVNSBIXGLL-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
Application:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
triazamate (CHEBI:38576) has parent hydride 1H-1,2,4-triazole (CHEBI:35550)
triazamate (CHEBI:38576) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
triazamate (CHEBI:38576) is a aryl sulfide (CHEBI:35683)
triazamate (CHEBI:38576) is a ethyl ester (CHEBI:23990)
triazamate (CHEBI:38576) is a triazole insecticide (CHEBI:38577)
IUPAC Name 
ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
Synonym  Source
TriazuronChemIDplus
Manual XrefsDatabases
C18770KEGG COMPOUND
652PPDB
Registry NumbersSources
CAS:112143-82-5ChemIDplus
CAS:112143-82-5KEGG COMPOUND