Basic information
- Standard SMILES
CC(=O)N(C(C)=O)c1nc2nc[nH]c2c(=O)[nH]1- InChIKey
QNXFUWFRTWSSOK-UHFFFAOYSA-N- Molecular formula
- C9H9N5O3
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 235.07053917
Names & identifiers
- Preferred name
- Diacetylguanine
- IUPAC
- N-acetyl-N-(6-oxo-1,7-dihydropurin-2-yl)acetamide
Names & synonyms
DiacetylguanineSCHEMBL2435286QNXFUWFRTWSSOK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136360183
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 405
Related reactions
20 records
Compound notes
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