(2Z)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-A]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one
Properties
- Molecular formula
- C16H13F6N5O
- Molar mass
- 405.30 g/mol
- Exact mass
- 405.1024 Da
- logP
- 2.14Crippen estimate
- Polar surface area
- 77.0 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 3
Identifiers
CAS number
767340-03-4SMILES
N/C(=CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1FInChIKey
RLSFDUAUKXKPCZ-UITAMQMPSA-NInChI
InChI=1S/C16H13F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4-6H,1-3,7,23H2/b9-5-Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 2-Buten-1-one, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (2Z)-
- 1,2,4-Triazolo[4,3-a]pyrazine, 7-[(2Z)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)-2-butenyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-
- (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine