Basic information
- Standard SMILES
FC(F)(F)c1nnc2ccc(N3CCN(Cc4nc5ccccc5o4)CC3)nn12- InChIKey
WDBIQBFUSVIMFB-UHFFFAOYSA-N- Molecular formula
- C18H16F3N7O
- Average molar mass
- 403.4 g/mol
Names & identifiers
- Preferred name
- 6-[4-(1,3-Benzoxazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-benzoxazole
Names & synonyms
6-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineSCHEMBL2266379
Database identifiers
- PubChem CID
- 67340714
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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