EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228586 - 3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one

ChEBI IDCHEBI:228586
ChEBI Name3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H13N3O
Net Charge0
Average Mass251.289
Monoisotopic Mass251.10586
SMILESCc1ccc(-n2nnc3ccccc3c2=O)cc1C
InChIInChI=1S/C15H13N3O/c1-10-7-8-12(9-11(10)2)18-15(19)13-5-3-4-6-14(13)16-17-18/h3-9H,1-2H3
InChIKeyYMTMHHXTGUZFNK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one (CHEBI:228586) is a benzotriazines (CHEBI:51361)
IUPAC Name 
3-(3,4-dimethylphenyl)-1,2,3-benzotriazin-4-one
Manual XrefsDatabases
257478ChemSpider