EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117904 - N-(cyclohexylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine

ChEBI IDCHEBI:117904
ChEBI NameN-(cyclohexylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
Stars
DownloadsMolfile
FormulaC21H23N5
Net Charge0
Average Mass345.450
Monoisotopic Mass345.19535
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2NCC2CCCCC2)cc1
InChIInChI=1S/C21H23N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,24,26)
InChIKeyFTHAFMYRINDSEL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(cyclohexylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine (CHEBI:117904) is a secondary amine (CHEBI:32863)
Manual XrefsDatabases
LSM-29353LINCS