1,7-dihydropurin-6-one | SBID = 2324 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 70.1 | ||
| Ertl TPSA/Å2: | 74.43 | ||
| Hydrophilicity (PubChem XLogP): | -0.5 | ||
| Hydrophilicity (Cheng XLogP3): | 0.45 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 96.3 | ||
| Sum Formula: | C5H4N4O | ||
| M / g/mol: | 136.11 | ||
| Complexity: | 190.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 1,7-dihydropurin-6-one
- Preferred Abbreviation: hypoxanthine
- IUPAC Name: 1,7-dihydropurin-6-one
- CAS:
- CID: 135398638
- InChiKey: FDGQSTZJBFJUBT-UHFFFAOYSA-N
- InChi: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
- CanoSmiles: C1=NC2=C(N1)C(=O)NC=N2
- IsoSmiles: C1=NC2=C(N1)C(=O)NC=N2
