Basic information
- Standard SMILES
N#CCC1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nn3)cc2)CC1- InChIKey
KDMVUJIQEKFAPI-UHFFFAOYSA-N- Molecular formula
- C24H22F3N5
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- (4-{4-[6-(6-Trifluoromethyl-pyridin-3-ylamino)-pyridazin-3-yl]-phenyl}-cyclohexyl)-acetonitrile
- IUPAC
- 2-[4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazin-3-yl]phenyl]cyclohexyl]acetonitrile
Names & synonyms
(4-{4-[6-(6-Trifluoromethyl-pyridin-3-ylamino)-pyridazin-3-yl]-phenyl}-cyclohexyl)-acetonitrileSCHEMBL181294(4-{4-[6-(6-Trifluoromethyl-pyridin-3-yl-amino)-pyridazin-3-yl]-phenyl}-cyclohexyl)-acetonitrile
Database identifiers
- PubChem CID
- 66615964
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 631
Related reactions
5 records
Compound notes
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