Catalog Number:
AG01EJMI
Chemical Name:
3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid
CAS Number:
2137530-88-0
Molecular Formula:
C18H19F6N5O3
Molecular Weight:
467.3656
MDL Number:
MFCD31452301
IUPAC Name:
acetic acid;3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
InChI:
InChI=1S/C16H15F6N5O.C2H4O2/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;1-2(3)4/h4,6,9H,1-3,5,7,23H2;1H3,(H,3,4)
InChI Key:
QNZXUPWGBGAKRR-UHFFFAOYSA-N
SMILES:
NC(Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F.CC(=O)O
