4-(5-{[cis-2,6-Dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-2-(trifluoromethyl)benzonitrile
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Basic information
- Standard SMILES
C[C@@H]1CN(Cc2nnnn2-c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1- InChIKey
LTIPYFABLMYWOA-PHIMTYICSA-N- Molecular formula
- C16H17F3N6O
- Average molar mass
- 366.34 g/mol
- Monoisotopic mass
- 366.14159367
Names & identifiers
- Preferred name
- 4-(5-{[cis-2,6-Dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-(5-{[cis-2,6-Dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-2-(trifluoromethyl)benzonitrileSCHEMBL325388
Database identifiers
- PubChem CID
- 56600331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
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Related reactions
1 records
Compound notes
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