3-[(4-Fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
Basic information
- CAS
894059-54-2- Standard SMILES
Fc1ccc(CSc2nnc3ccc(-c4ccncc4)nn23)cc1- InChIKey
NKQQHGAFJDQEFC-UHFFFAOYSA-N- Molecular formula
- C17H12FN5S
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.07974474
Overview
3-[(4-fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is a triazolopyridazine.
Names & identifiers
- Preferred name
- 3-[(4-Fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 3-[(4-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
3-[(4-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine3-[(4-fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine894059-54-2MLS000686224CHEMBL1349658CHEBI:121443DTXSID701327008HMS2750O18AKOS024654324CCG-276131SMR000324252Q27209987
Show more names
F2507-04273-((4-fluorobenzyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine3-{[(4-Fluorophenyl)methyl]sulfanyl}-6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
Database identifiers
- CAS
894059-54-2- PubChem CID
- 7532083
- DTXSID
DTXSID701327008- ChEMBL
CHEMBL1349658- ChEBI
CHEBI:121443
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility32.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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