5-(1-Isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-6-phenyl-2,3-pyrazinedicarbonitrile
Basic information
- Standard SMILES
CC(C)n1nc(-c2nc(C#N)c(C#N)nc2-c2ccccc2)ccc1=O- InChIKey
WDCUNWGCRGCHQK-UHFFFAOYSA-N- Molecular formula
- C19H14N6O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.12290909
Names & identifiers
- Preferred name
- 5-(1-Isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-6-phenyl-2,3-pyrazinedicarbonitrile
- IUPAC
- 5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2,3-dicarbonitrile
Names & synonyms
SCHEMBL5152899WDCUNWGCRGCHQK-UHFFFAOYSA-N5-(1-isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-6-phenyl-2,3-pyrazinedicarbonitrile
Database identifiers
- PubChem CID
- 69333335
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 702
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Related reactions
11 records
Compound notes
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