6-[4-(2-Chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Basic information
- Standard SMILES
FC(F)(F)c1nnc2ccc(N3CCN(c4ccccc4Cl)CC3)nn12- InChIKey
OVDNMZWUQQYMQX-UHFFFAOYSA-N- Molecular formula
- C16H14ClF3N6
- Average molar mass
- 382.77 g/mol
Names & identifiers
- Preferred name
- 6-[4-(2-Chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-[4-(2-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
6-[4-(2-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineSCHEMBL2265805
Database identifiers
- PubChem CID
- 41997008
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 487
Related reactions
2 records
Compound notes
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