Basic information
- CAS
1162-74-9- Standard SMILES
O=c1c(-c2ccccc2)c(-c2ccccc2)n2n1C1C=CC2C1- InChIKey
GVDVVXAXTWQZFM-UHFFFAOYSA-N- Molecular formula
- C20H16N2O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.12626314
Names & identifiers
- Preferred name
- 2,3-Diphenyl-5,8-dihydro-1h-5,8-methanopyrazolo[1,2-a]pyridazin-1-one
- IUPAC
- 4,5-diphenyl-2,6-diazatricyclo[5.2.1.02,6]deca-4,8-dien-3-one
Names & synonyms
1162-74-92,3-diphenyl-5,8-dihydro-1h-5,8-methanopyrazolo[1,2-a]pyridazin-1-oneNSC109895DTXSID30296550NSC-109895
Database identifiers
- CAS
1162-74-9- PubChem CID
- 269243
- DTXSID
DTXSID30296550
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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