7-Benzyl-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
Basic information
- CAS
63195-12-0- Standard SMILES
Cc1[nH]nc2c(Cc3ccccc3)n[nH]c(=O)c12- InChIKey
UPGGLUOZWJPDMM-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Names & identifiers
- Preferred name
- 7-Benzyl-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
- IUPAC
- 7-benzyl-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
Names & synonyms
NSC29415563195-12-0DTXSID40423234NSC-2941557-Benzyl-3-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Database identifiers
- CAS
63195-12-0- PubChem CID
- 6399191
- DTXSID
DTXSID40423234
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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