Basic information
- Standard SMILES
Oc1ccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1- InChIKey
VYEWRZYPCDEFOX-UHFFFAOYSA-N- Molecular formula
- C16H15F3N6O
- Average molar mass
- 364.32 g/mol
- Monoisotopic mass
- 364.12594361
Names & identifiers
- Preferred name
- 4-[4-[3-(Trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]phenol
- IUPAC
- 4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]phenol
Names & synonyms
4-[4-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]phenol4-{4-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl}phenolSCHEMBL7484684-(4-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl)phenol
Database identifiers
- PubChem CID
- 30008837
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Related reactions
13 records
Compound notes
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