HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Anilinopyrimido(4,5-d)pyridazine-5,8-diol
Identifiers & Physical Properties
| CAS No. | 6344-84-9 |
|---|---|
| Molecular formula | C12H9N5O2 |
| Average molar mass | 255.23 g/mol |
| Monoisotopic mass | 255.07562455 g/mol |
| SMILES | O=c1[nH][nH]c(=O)c2nc(Nc3ccccc3)ncc12 |
| InChIKey | STRPVOOSFZSRNF-UHFFFAOYSA-N |
| PubChem CID | 242579 |
| ChEMBL | CHEMBL1711802 |
| DTXSID | DTXSID80212861 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 96 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 369 |