| Synonyms: | |
| Status: | Approved (1953) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 39J262E49W |
Structure
| InChI Key | TUESWZZJYCLFNL-DAFODLJHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16N4O |
| Molecular Weight | 280.33 |
| AlogP | 2.13 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 119.97 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1301 |
| DrugBank | DB14753 |
| EPA CompTox | DTXSID80873552 |
| FDA SRS | 39J262E49W |
| Human Metabolome Database | HMDB0240284 |
| PubChem | 3654 |
| SureChEMBL | SCHEMBL108492 |
| ZINC | ZINC000000001547 |
CONTENTS