J5Z
Summary
| Name: | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Formula: | C13 H10 F3 N5 |
| Formal charge: | 0 |
| Formula weight: | 293.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| 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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| 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 |
