Basic information
- CAS
35426-80-3- Standard SMILES
C=C1C(O)C2NN(c3ccccc3)C(=O)C2NN1c1ccccc1- InChIKey
JEGFCPYMXYVMGU-UHFFFAOYSA-N- Molecular formula
- C18H18N4O2
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- 3H-Pyrazolo[4,3-c]pyridazin-3-one, octahydro-7-hydroxy-6-methylene-2,5-diphenyl-
- IUPAC
- 7-hydroxy-6-methylidene-2,5-diphenyl-3a,4,7,7a-tetrahydro-1H-pyrazolo[4,3-c]pyridazin-3-one
- English name
- 1,2,3a,4,5,6,7,7a-Octahydro-7-hydroxy-6-methylene-2,5-diphenyl-3H-pyrazolo[4,3-c]pyridazin-3-one
- Molecular weight
- 0
Names & synonyms
JEGFCPYMXYVMGU-UHFFFAOYSA-N3H-Pyrazolo[4,3-c]pyridazin-3-one, octahydro-7-hydroxy-6-methylene-2,5-diphenyl-7-Hydroxy-6-methylene-2,5-diphenyloctahydro-3H-pyrazolo[4,3-c]pyridazin-3-one #1,2,3a,4,5,6,7,7a-Octahydro-7-hydroxy-6-methylene-2,5-diphenyl-3H-pyrazolo[4,3-c]pyridazin-3-one
Database identifiers
- CAS
35426-80-3- Nikkaji
- J111.571E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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