Basic information
- CAS
90399-88-5- Standard SMILES
COc1ccccc1-n1c(C)nc2[nH]ncc2c1=O- InChIKey
ZNOHTERAXAFWFN-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.09602564
Names & identifiers
- Preferred name
- 5-(2-methoxyphenyl)-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
- IUPAC
- 5-(2-methoxyphenyl)-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
NSC35369790399-88-5DTXSID40320012NSC-3536975-(2-Methoxyphenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
- CAS
90399-88-5- PubChem CID
- 337068
- DTXSID
DTXSID40320012
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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