N8X
Summary
| Name: | 2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide |
| Formula: | C13 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 244.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3,5-dimethylphenyl)-~{N}-(4-methyl-1,2,4-triazol-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nncn1C)Cc1cc(C)cc(C)c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H16N4O/c1-9-4-10(2)6-11(5-9)7-12(18)15-13-16-14-8-17(13)3/h4-6,8H,7H2,1-3H3,(H,15,16,18) |
| InChIKey | InChI | 1.06 | UDMVRKGFUBDAMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnnc1NC(=O)Cc2cc(C)cc(C)c2 |
| SMILES | CACTVS | 3.385 | Cn1cnnc1NC(=O)Cc2cc(C)cc(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)CC(=O)Nc2nncn2C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)CC(=O)Nc2nncn2C)C |
