6-[4-(2-Chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

HCID 41997008
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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

Related reactions

2 records
New reaction record

Linked notes

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