64Q
Summary
| Name: | 7-methyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
| Formula: | C13 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 239.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-methyl-N-(2-methylphenyl)[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
| OpenEye OEToolkits | 2.0.4 | 7-methyl-~{N}-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(c(Nc1cc(C)nc2n1cnn2)ccc3)C |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5/c1-9-5-3-4-6-11(9)16-12-7-10(2)15-13-17-14-8-18(12)13/h3-8,16H,1-2H3 |
| InChIKey | InChI | 1.03 | PKRDHUFEVOSQIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Nc2ccccc2C)n3cnnc3n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(Nc2ccccc2C)n3cnnc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1Nc2cc(nc3n2cnn3)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1Nc2cc(nc3n2cnn3)C |
