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CHEBI:176816 - 1-[5-amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one

ChEBI IDCHEBI:176816
ChEBI Name1-[5-amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N4O
Net Charge0
Average Mass258.325
Monoisotopic Mass258.14806
SMILESCc1ccccc1-c1nc(N)n(C(=O)C(C)(C)C)n1
InChIInChI=1S/C14H18N4O/c1-9-7-5-6-8-10(9)11-16-13(15)18(17-11)12(19)14(2,3)4/h5-8H,1-4H3,(H2,15,16,17)
InChIKeyGIOMSFJOSQLVOK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS2531)
ChEBI Ontology
Outgoing Relation(s)
1-[5-amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one (CHEBI:176816) is a triazoles (CHEBI:35727)
IUPAC Name 
1-[5-amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Manual XrefsDatabases
29017987ChemSpider