QEE
Summary
| Name: | ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate |
| Synonyms: | tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate |
| Formula: | C15 H16 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 328.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,22H,1-3H3 |
| InChIKey | InChI | 1.03 | XGMXSZUIWLEBQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)c1ccc(nc1)n2ncc(n3ccnn3)c2O |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)c1ccc(nc1)n2ncc(n3ccnn3)c2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O |
