KK7
Summary
| Name: | N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide |
| Formula: | C15 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 279.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3nc(C(Nc2cc(c1n(cnn1)C)ccc2)=O)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13N5O/c1-20-10-17-19-14(20)11-5-4-6-12(9-11)18-15(21)13-7-2-3-8-16-13/h2-10H,1H3,(H,18,21) |
| InChIKey | InChI | 1.03 | KMUXXLWWJGMJFW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnnc1c2cccc(NC(=O)c3ccccn3)c2 |
| SMILES | CACTVS | 3.385 | Cn1cnnc1c2cccc(NC(=O)c3ccccn3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3 |
