P5Q
Summary
| Name: | 1-(4-methylphenyl)-1,2,4-triazole |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methylphenyl)-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h2-7H,1H3 |
| InChIKey | InChI | 1.03 | NXIAVERGTMRISY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)n2cncn2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)n2cncn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)n2cncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)n2cncn2 |
