6-(1-Azepanyl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
Basic information
- CAS
340007-49-0- Standard SMILES
FC(F)(F)C(F)(F)c1nnc2ccc(N3CCCCCC3)nn12- InChIKey
WYFTYCKGNDZCOB-UHFFFAOYSA-N- Molecular formula
- C13H14F5N5
- Average molar mass
- 335.28 g/mol
- Monoisotopic mass
- 335.11693628
Names & identifiers
- Preferred name
- 6-(1-Azepanyl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-(azepan-1-yl)-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
340007-49-06-(1-Azepanyl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazineWYFTYCKGNDZCOB-UHFFFAOYSA-NDTXSID401353448STL4385511,2,4-Triazolo[4,3-b]pyridazine, 6-(1-perhydroazepinyl)-3-pentafluoroethyl-AKOS003672438AG-205/129090486-(1-Perhydroazepinyl)-3-(perfluoroethyl)-1,2,4-triazolo[4,3-b]pyridazine6-(azepan-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine6-(1-Azepanyl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine #
Database identifiers
- CAS
340007-49-0- PubChem CID
- 534567
- DTXSID
DTXSID401353448
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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