Basic information
- CAS
88320-57-4- Standard SMILES
Cc1nc2c(cnn2C)c(=O)n1-c1ccccc1Cl- InChIKey
FJIVLXNEUSERNL-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0621387
Names & identifiers
- Preferred name
- 5-(2-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 5-(2-chlorophenyl)-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
88320-57-4NSC3452895-(2-chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-oneDTXSID90319431NSC-3452895-(2-Chlorophenyl)-1,6-dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
- CAS
88320-57-4- PubChem CID
- 335489
- DTXSID
DTXSID90319431
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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