Basic information
- Standard SMILES
C[C@@H](n1ccnn1)[C@](O)(Cn1cncn1)c1ccccc1F- InChIKey
NDNQTVPMRNOJLB-BXUZGUMPSA-N- Molecular formula
- C14H15FN6O
- Average molar mass
- 302.31 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
- IUPAC
- (2R,3R)-2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Names & synonyms
SCHEMBL9005102NDNQTVPMRNOJLB-BXUZGUMPSA-N(2R,3R)-2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol(2R,3R)-2-(2-Fluoro-phenyl)-3-[1,2,3]triazol-1-yl-1-[1,2,4]triazol-1-yl-butan-2-ol(2R,3R)-2-(2-fluorophenyl)-3-(1H-1,2, 3-triazol-1-yl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
Database identifiers
- PubChem CID
- 462673
- Nikkaji
- J747.863A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Related reactions
1 records
Compound notes
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