EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121947 - 4-(2-fluorophenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one

ChEBI IDCHEBI:121947
ChEBI Name4-(2-fluorophenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
Stars
DownloadsMolfile
FormulaC17H16FN3O2
Net Charge0
Average Mass313.332
Monoisotopic Mass313.12265
SMILESCc1nn(CCOc2ccccc2)c(=O)n1-c1ccccc1F
InChIInChI=1S/C17H16FN3O2/c1-13-19-20(11-12-23-14-7-3-2-4-8-14)17(22)21(13)16-10-6-5-9-15(16)18/h2-10H,11-12H2,1H3
InChIKeySNNKFWKQLUZWTD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(2-fluorophenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one (CHEBI:121947) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-33390LINCS