Basic information
- CAS
90399-86-3- Standard SMILES
Cc1nc2[nH]ncc2c(=O)n1-c1ccccc1- InChIKey
ZLJKWMTVLCGUEC-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- 6-methyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
- IUPAC
- 6-methyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
NSC35369490399-86-3DTXSID20320010NSC-3536946-Methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
- CAS
90399-86-3- PubChem CID
- 337065
- DTXSID
DTXSID20320010
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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