HuagongsheHuagongshe Chemistry Print Report · For research reference only
T0509-8125
Identifiers & Physical Properties
| CAS No. | 6582-41-8 |
|---|---|
| Molecular formula | C17H24N6O |
| Average molar mass | 328.4 g/mol |
| Monoisotopic mass | 328.20115941 g/mol |
| SMILES | CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N |
| InChIKey | PYLKIUBYVAMNEF-UHFFFAOYSA-N |
| PubChem CID | 5216640 |
| ChEMBL | CHEMBL1432553 |
| DTXSID | DTXSID00410680 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 114 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 7 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 438 |