Basic information
- Standard SMILES
N#Cc1cccc(-c2nc(-c3ccnnc3)no2)c1- InChIKey
PHZVVPBVYLKKCC-UHFFFAOYSA-N- Molecular formula
- C13H7N5O
- Average molar mass
- 249.23 g/mol
Names & identifiers
- Preferred name
- 3-(3-(Pyridazin-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
- IUPAC
- 3-(3-pyridazin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
Names & synonyms
SCHEMBL1423608PHZVVPBVYLKKCC-UHFFFAOYSA-NDB-1361733-(3-(Pyridazin-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile3-[3-(4-Pyridazinyl)-1,2,4-oxadiazol-5-yl]benzonitrile1073461-06-9
Database identifiers
- PubChem CID
- 44544670
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Related reactions
2 records
Compound notes
Loading…