5-(4-fluorophenyl)-1-hydroxytriazole

C8H6FN3O — CID 22065223

IUPAC5-(4-fluorophenyl)-1-hydroxytriazole
SMILESOn1nncc1-c1ccc(F)cc1
InChIInChI=1S/C8H6FN3O/c9-7-3-1-6(2-4-7)8-5-10-11-12(8)13/h1-5,13H
InChIKeyHVNVDPRUBURBGH-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.32
Rot. Bonds1

About 5-(4-fluorophenyl)-1-hydroxytriazole

5-(4-fluorophenyl)-1-hydroxytriazole (PubChem CID 22065223) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-hydroxytriazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-hydroxytriazole
PubChem CID22065223
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name5-(4-fluorophenyl)-1-hydroxytriazole
SMILESOn1nncc1-c1ccc(F)cc1
InChIInChI=1S/C8H6FN3O/c9-7-3-1-6(2-4-7)8-5-10-11-12(8)13/h1-5,13H
InChIKeyHVNVDPRUBURBGH-UHFFFAOYSA-N
XLogP1.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-1-hydroxytriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-hydroxytriazole?
The IUPAC name of 5-(4-fluorophenyl)-1-hydroxytriazole (CID 22065223) is 5-(4-fluorophenyl)-1-hydroxytriazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-hydroxytriazole?
The canonical SMILES for 5-(4-fluorophenyl)-1-hydroxytriazole is On1nncc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-hydroxytriazole?
The InChIKey is HVNVDPRUBURBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-7-3-1-6(2-4-7)8-5-10-11-12(8)13/h1-5,13H.
What are the key properties of 5-(4-fluorophenyl)-1-hydroxytriazole?
5-(4-fluorophenyl)-1-hydroxytriazole has a molecular weight of 179.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-hydroxytriazole is sourced from PubChem (CID 22065223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).