K4O
Summary
| Name: | ~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Formula: | C13 H12 F N5 |
| Formal charge: | 0 |
| Formula weight: | 257.266 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-4-2-3-5-11(10)14/h2-6,8,15H,7H2,1H3 |
| InChIKey | InChI | 1.06 | VHJBRIUYFBUFEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NCc2ccccc2F)n3ncnc3n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(NCc2ccccc2F)n3ncnc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)ncn2)NCc3ccccc3F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)ncn2)NCc3ccccc3F |
