1-(4-phenoxyphenyl)tetrazole

C13H10N4O — CID 781454

IUPAC1-(4-phenoxyphenyl)tetrazole
SMILESc1ccc(Oc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C13H10N4O/c1-2-4-12(5-3-1)18-13-8-6-11(7-9-13)17-10-14-15-16-17/h1-10H
InChIKeyGBCTYXFSSLOKFI-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-phenoxyphenyl)tetrazole

1-(4-phenoxyphenyl)tetrazole (PubChem CID 781454) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)tetrazole
PubChem CID781454
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1-(4-phenoxyphenyl)tetrazole
SMILESc1ccc(Oc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C13H10N4O/c1-2-4-12(5-3-1)18-13-8-6-11(7-9-13)17-10-14-15-16-17/h1-10H
InChIKeyGBCTYXFSSLOKFI-UHFFFAOYSA-N
XLogP2.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-phenoxyphenyl)tetrazole 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 1-(4-phenoxyphenyl)tetrazole?
The IUPAC name of 1-(4-phenoxyphenyl)tetrazole (CID 781454) is 1-(4-phenoxyphenyl)tetrazole.
What is the SMILES notation for 1-(4-phenoxyphenyl)tetrazole?
The canonical SMILES for 1-(4-phenoxyphenyl)tetrazole is c1ccc(Oc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)tetrazole?
The InChIKey is GBCTYXFSSLOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-2-4-12(5-3-1)18-13-8-6-11(7-9-13)17-10-14-15-16-17/h1-10H.
What are the key properties of 1-(4-phenoxyphenyl)tetrazole?
1-(4-phenoxyphenyl)tetrazole has a molecular weight of 238.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)tetrazole is sourced from PubChem (CID 781454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).