Basic information
- CAS
88320-52-9- Standard SMILES
CCCCn1c(C)nc2c(cnn2C)c1=O- InChIKey
JBZFVQDCAVZAFQ-UHFFFAOYSA-N- Molecular formula
- C11H16N4O
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.13241115
Names & identifiers
- Preferred name
- 5-Butyl-1,6-dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 5-butyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
88320-52-9NSC345282DTXSID203194245-Butyl-1,6-dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneNSC-345282
Database identifiers
- CAS
88320-52-9- PubChem CID
- 335482
- DTXSID
DTXSID20319424
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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