4-hydroxy-3-phenyl-1,2,4-triazole

C8H7N3O — CID 589306

IUPAC4-hydroxy-3-phenyl-1,2,4-triazole
SMILESOn1cnnc1-c1ccccc1
InChIInChI=1S/C8H7N3O/c12-11-6-9-10-8(11)7-4-2-1-3-5-7/h1-6,12H
InChIKeyZKZDIHSYTZBNGV-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.18
Rot. Bonds1

About 4-hydroxy-3-phenyl-1,2,4-triazole

4-hydroxy-3-phenyl-1,2,4-triazole (PubChem CID 589306) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-1,2,4-triazole
PubChem CID589306
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-hydroxy-3-phenyl-1,2,4-triazole
SMILESOn1cnnc1-c1ccccc1
InChIInChI=1S/C8H7N3O/c12-11-6-9-10-8(11)7-4-2-1-3-5-7/h1-6,12H
InChIKeyZKZDIHSYTZBNGV-UHFFFAOYSA-N
XLogP1.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-1,2,4-triazole?
The IUPAC name of 4-hydroxy-3-phenyl-1,2,4-triazole (CID 589306) is 4-hydroxy-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 4-hydroxy-3-phenyl-1,2,4-triazole?
The canonical SMILES for 4-hydroxy-3-phenyl-1,2,4-triazole is On1cnnc1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-1,2,4-triazole?
The InChIKey is ZKZDIHSYTZBNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-11-6-9-10-8(11)7-4-2-1-3-5-7/h1-6,12H.
What are the key properties of 4-hydroxy-3-phenyl-1,2,4-triazole?
4-hydroxy-3-phenyl-1,2,4-triazole has a molecular weight of 161.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 589306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).