3-(tetrazol-1-yl)phenol

C7H6N4O — CID 856192

IUPAC3-(tetrazol-1-yl)phenol
SMILESOc1cccc(-n2cnnn2)c1
InChIInChI=1S/C7H6N4O/c12-7-3-1-2-6(4-7)11-5-8-9-10-11/h1-5,12H
InChIKeyGXPLZNJTPPNNOA-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.37
Rot. Bonds1

About 3-(tetrazol-1-yl)phenol

3-(tetrazol-1-yl)phenol (PubChem CID 856192) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)phenol.

Molecular Properties

Compound Name3-(tetrazol-1-yl)phenol
PubChem CID856192
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name3-(tetrazol-1-yl)phenol
SMILESOc1cccc(-n2cnnn2)c1
InChIInChI=1S/C7H6N4O/c12-7-3-1-2-6(4-7)11-5-8-9-10-11/h1-5,12H
InChIKeyGXPLZNJTPPNNOA-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-Triazol-1-yl)phenol
CID 110064
4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
3-(4H-1,2,4-triazol-4-yl)phenol
CID 17174911
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
m-(5-(Methylthio)-1H-tetrazol-1-yl)phenol
CID 713737
2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 15496731
2-(1H-1,2,4-triazol-1-yl)phenol
CID 23055339
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323
3-(5-methyl-1H-tetrazol-1-yl)phenol
CID 16765171
4-(3-amino-1H-1,2,4-triazol-1-yl)phenol
CID 75453064

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)phenol?
The IUPAC name of 3-(tetrazol-1-yl)phenol (CID 856192) is 3-(tetrazol-1-yl)phenol.
What is the SMILES notation for 3-(tetrazol-1-yl)phenol?
The canonical SMILES for 3-(tetrazol-1-yl)phenol is Oc1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)phenol?
The InChIKey is GXPLZNJTPPNNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7-3-1-2-6(4-7)11-5-8-9-10-11/h1-5,12H.
What are the key properties of 3-(tetrazol-1-yl)phenol?
3-(tetrazol-1-yl)phenol has a molecular weight of 162.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)phenol is sourced from PubChem (CID 856192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).