J5Z
概要
表記: | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
組成式: | C13 H10 F3 N5 |
電荷: | 0 |
化学式量: | 293.247 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 11.02 | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
OpenEye OEToolkits | 1.6.1 | 5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 11.02 | FC(F)(F)c1ccc(cc1)Nc2cc(nc3ncnn23)C |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1 |
SMILES | CACTVS | 3.352 | Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3 |
InChIKey | InChI | 1.03 | LRHHXKBKRNNFRV-UHFFFAOYSA-N |