A1BSP
Summary
| Name: | 1-methyl-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-indazole-3-carboxamide |
| Formula: | C13 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 270.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-indazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-[2-(1,2,4-triazol-1-yl)ethyl]indazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1nc(C(=O)NCCn2cncn2)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H14N6O/c1-18-11-5-3-2-4-10(11)12(17-18)13(20)15-6-7-19-9-14-8-16-19/h2-5,8-9H,6-7H2,1H3,(H,15,20) |
| InChIKey | InChI | 1.06 | UIOOLKZMABSWFR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C(=O)NCCn2cncn2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | Cn1nc(C(=O)NCCn2cncn2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)NCCn3cncn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)NCCn3cncn3 |
