7-[(4-Methoxyphenyl)methyl]-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
Basic information
- CAS
63195-14-2- Standard SMILES
COc1ccc(Cc2n[nH]c(=O)c3c(C)[nH]nc23)cc1- InChIKey
JNYWHIXXTUMQSF-UHFFFAOYSA-N- Molecular formula
- C14H14N4O2
- Average molar mass
- 270.29 g/mol
- Monoisotopic mass
- 270.1116757
Names & identifiers
- Preferred name
- 7-[(4-Methoxyphenyl)methyl]-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
- IUPAC
- 7-[(4-methoxyphenyl)methyl]-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
Names & synonyms
NSC29415663195-14-2DTXSID00423235NSC-2941567-[(4-Methoxyphenyl)methyl]-3-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Database identifiers
- CAS
63195-14-2- PubChem CID
- 6399192
- DTXSID
DTXSID00423235
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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