A1KEY
Summary
| Name: | 7-methyl-~{N}-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
| Formula: | C14 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 253.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-methyl-~{N}-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15N5/c1-10-3-5-12(6-4-10)8-15-13-7-11(2)17-14-18-16-9-19(13)14/h3-7,9,15H,8H2,1-2H3 |
| InChIKey | InChI | 1.06 | PECYXUKVHSOWJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CNc2cc(C)nc3nncn23)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CNc2cc(C)nc3nncn23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNc2cc(nc3n2cnn3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNc2cc(nc3n2cnn3)C |
