HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Azido-2-oxo-1,2lambda~5~,4-triazine
Identifiers & Physical Properties
| CAS No. | 65481-63-2 |
|---|---|
| Molecular formula | C3H2N6O |
| Average molar mass | 138.09 g/mol |
| Monoisotopic mass | 138.02900871 g/mol |
| SMILES | [N-]=[N+]=Nc1nccn[n+]1[O-] |
| InChIKey | PIVJZGDRVKAIOL-UHFFFAOYSA-N |
| PubChem CID | 12377906 |
| DTXSID | DTXSID80495238 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 65.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 153 |