Basic information
- Standard SMILES
O=c1n(Cc2ccc(N3CCOCC3)nc2)nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn12- InChIKey
HDMIBJYECZVWIH-UHFFFAOYSA-N- Molecular formula
- C27H22Cl2N6O2
- Average molar mass
- 533.4 g/mol
Names & identifiers
- Preferred name
- 7,8-bis(4-chlorophenyl)-2-((6-morpholinopyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
- IUPAC
- 7,8-bis(4-chlorophenyl)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Names & synonyms
SCHEMBL4805880HDMIBJYECZVWIH-UHFFFAOYSA-N7,8-bis(4-chlorophenyl)-2-((6-morpholinopyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Database identifiers
- PubChem CID
- 11989957
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 935
Related reactions
2 records
Compound notes
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