Basic information
- Standard SMILES
O=c1n(Cc2ccc(-c3ccon3)cc2)nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)cnn12- InChIKey
CTVQDDMUJHZHSN-UHFFFAOYSA-N- Molecular formula
- C26H17ClN6O2
- Average molar mass
- 480.9 g/mol
- Monoisotopic mass
- 480.1101515
Names & identifiers
- Preferred name
- 2-(4-(isoxazol-3-yl)benzyl)-7-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
- IUPAC
- 7-(4-chlorophenyl)-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Names & synonyms
SCHEMBL4805088CTVQDDMUJHZHSN-UHFFFAOYSA-N2-(4-(isoxazol-3-yl)benzyl)-7-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Database identifiers
- PubChem CID
- 11989762
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 884
Related reactions
2 records
Compound notes
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