NK5
Summary
| Name: | ~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide |
| Formula: | C9 H8 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 204.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8N4O2/c14-9(11-15)8-6-13(12-10-8)7-4-2-1-3-5-7/h1-6,15H,(H,11,14) |
| InChIKey | InChI | 1.03 | ALZYWLPUOFGSEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1cn(nn1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1cn(nn1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2cc(nn2)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2cc(nn2)C(=O)NO |
