Basic information
- CAS
565198-71-2- Standard SMILES
COc1ccc(-n2cc3c(=O)[nH]nc(-c4ccccc4)c3n2)cc1- InChIKey
PXRMHGJCYGDXJO-UHFFFAOYSA-N- Molecular formula
- C18H14N4O2
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.1116757
Names & identifiers
- Preferred name
- 2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
- IUPAC
- 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
Names & synonyms
565198-71-22,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo[3,4-d]pyridazin-4-one2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-oneRefChem:2474502-(4-Methoxy-phenyl)-7-phenyl-2,5-dihydro-pyrazolo[3,4-d]pyridazin-4-oneMLS000773351CHEMBL1612997PXRMHGJCYGDXJO-UHFFFAOYSA-NDTXSID101144886HMS2697P04AKOS034466028SDCCGSBI-0662024.P001
Show more names
SMR000364057Z569245152-(4-Methoxyphenyl)-7-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Database identifiers
- CAS
565198-71-2- PubChem CID
- 6409092
- DTXSID
DTXSID101144886- ChEMBL
CHEMBL1612997
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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