Basic information
- Standard SMILES
N#Cc1ccc(N(Cc2ccc(F)c(O)c2)n2cnnc2)cc1- InChIKey
DXFARUZXEUTFAT-UHFFFAOYSA-N- Molecular formula
- C16H12FN5O
- Average molar mass
- 309.3 g/mol
Names & identifiers
- Preferred name
- 4-[(4-Fluoro-3-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
- IUPAC
- 4-[(4-fluoro-3-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Names & synonyms
m-phenol, 14eCHEMBL390079SCHEMBL2060145BDBM24340DXFARUZXEUTFAT-UHFFFAOYSA-N4-[(4-Fluoro-3-hydroxy-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile4-[(4-Fluoro-3-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole4-[(4-Fluoro-3-hydroxy-benzyl)-[1, 2, 4]triazol-4-yl-amino]-benzonitrile4-{[(4-fluoro-3-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile
Database identifiers
- PubChem CID
- 16747839
- ChEMBL
CHEMBL390079
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
6 records
Linked notes
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