Basic information
- Standard SMILES
CC(C)Cc1n[nH]c(=O)c2cn(Cc3cccc4ccccc34)cc12- InChIKey
SLNCCXINAQZHKV-UHFFFAOYSA-N- Molecular formula
- C21H21N3O
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 2,6-Dihydro-4-(2-methylpropyl)-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyridazin-1-one
- IUPAC
- 4-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-2H-pyrrolo[3,4-d]pyridazin-1-one
Names & synonyms
SCHEMBL6849118SLNCCXINAQZHKV-UHFFFAOYSA-N2,6-Dihydro-4-(2-methylpropyl)-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyridazin-1-one
Database identifiers
- PubChem CID
- 23503237
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 529
Related reactions
2 records
Compound notes
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