HIT ID: HIT105140665
Cas No: 767340-03-4;847445-81-2
分子式: C16H13F6N5O
分子量: 405.304
常用名: (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine
常用名: (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine
氢键受体数 (HBA): 1
氢键供体数 (HBD): 2
LogP: 9.680000000000000e-001
IUPAC: (2Z)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
IUPAC: (2Z)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
SMILES: N\C(Cc1cc(F)c(F)cc1F)=C/C(=O)N1CCn2c(C1)nnc2C(F)(F)F
SMILES: N\C(Cc1cc(F)c(F)cc1F)=C/C(=O)N1CCn2c(C1)nnc2C(F)(F)F
InChI key: RLSFDUAUKXKPCZ-UITAMQMPSA-N
