2-(2H-tetrazol-5-yl)phenol

C7H6N4O — CID 135544530

IUPAC2-(2H-tetrazol-5-yl)phenol
SMILESOc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChIKeyFPUQYVARGFDCGZ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.57
Rot. Bonds1

About 2-(2H-tetrazol-5-yl)phenol

2-(2H-tetrazol-5-yl)phenol (PubChem CID 135544530) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)phenol
PubChem CID135544530
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-(2H-tetrazol-5-yl)phenol
SMILESOc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChIKeyFPUQYVARGFDCGZ-UHFFFAOYSA-N
XLogP0.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2H-tetrazol-5-yl)phenol 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 2-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 2-(2H-tetrazol-5-yl)phenol (CID 135544530) is 2-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 2-(2H-tetrazol-5-yl)phenol is Oc1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)phenol?
The InChIKey is FPUQYVARGFDCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11).
What are the key properties of 2-(2H-tetrazol-5-yl)phenol?
2-(2H-tetrazol-5-yl)phenol has a molecular weight of 162.15 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 135544530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).