Basic information
- CAS
90399-87-4- Standard SMILES
Cc1nc2[nH]ncc2c(=O)n1-c1ccccc1Cl- InChIKey
UAFRXBIKWQDKGE-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O
- Average molar mass
- 260.68 g/mol
- Monoisotopic mass
- 260.0464886
Names & identifiers
- Preferred name
- 5-(2-chlorophenyl)-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
- IUPAC
- 5-(2-chlorophenyl)-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
NSC35369590399-87-4DTXSID80320011NSC-3536955-(2-Chlorophenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
- CAS
90399-87-4- PubChem CID
- 337066
- DTXSID
DTXSID80320011
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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