1-hydroxy-5-phenyltetrazole

C7H6N4O — CID 13000786

IUPAC1-hydroxy-5-phenyltetrazole
SMILESOn1nnnc1-c1ccccc1
InChIInChI=1S/C7H6N4O/c12-11-7(8-9-10-11)6-4-2-1-3-5-6/h1-5,12H
InChIKeyPXMQQCLRWUUIGJ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.58
Rot. Bonds1

About 1-hydroxy-5-phenyltetrazole

1-hydroxy-5-phenyltetrazole (PubChem CID 13000786) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-hydroxy-5-phenyltetrazole.

Molecular Properties

Compound Name1-hydroxy-5-phenyltetrazole
PubChem CID13000786
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name1-hydroxy-5-phenyltetrazole
SMILESOn1nnnc1-c1ccccc1
InChIInChI=1S/C7H6N4O/c12-11-7(8-9-10-11)6-4-2-1-3-5-6/h1-5,12H
InChIKeyPXMQQCLRWUUIGJ-UHFFFAOYSA-N
XLogP0.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-hydroxy-5-phenyltetrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-Phenyl-1H-tetrazole
CID 87425
5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
CID 333943
3-(Tetrazol-5-yl)phenylboronic acid
CID 46737996
5-(m-Tolyl)-1H-tetrazole
CID 583308
5-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 596275
5-(4-Fluorophenyl)-1H-tetrazole
CID 766140
5-(2-Iodophenyl)-1H-tetrazole
CID 11086884
5-(3-Iodophenyl)-2H-tetrazole
CID 44589533
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
5-phenyl-1-propoxy-1H-tetrazole
CID 2219318
5-Phenyltetrazol-1-amine
CID 323204

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-phenyltetrazole?
The IUPAC name of 1-hydroxy-5-phenyltetrazole (CID 13000786) is 1-hydroxy-5-phenyltetrazole.
What is the SMILES notation for 1-hydroxy-5-phenyltetrazole?
The canonical SMILES for 1-hydroxy-5-phenyltetrazole is On1nnnc1-c1ccccc1.
What is the InChIKey of 1-hydroxy-5-phenyltetrazole?
The InChIKey is PXMQQCLRWUUIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-11-7(8-9-10-11)6-4-2-1-3-5-6/h1-5,12H.
What are the key properties of 1-hydroxy-5-phenyltetrazole?
1-hydroxy-5-phenyltetrazole has a molecular weight of 162.15 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-phenyltetrazole is sourced from PubChem (CID 13000786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).