4-[(4-Fluoro-3-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

HCID 16747839

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

Related reactions

6 records

Linked notes

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4-[(4-Fluoro-3-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole (HCID 16747839)|Huagongshe