5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole

C14H11ClN4 — CID 2797241

IUPAC5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H11ClN4/c1-10-2-8-13(9-3-10)19-17-14(16-18-19)11-4-6-12(15)7-5-11/h2-9H,1H3
InChIKeyCHSVRVSKTGRBDC-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.29
Rot. Bonds2

About 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole

5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole (PubChem CID 2797241) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
PubChem CID2797241
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H11ClN4/c1-10-2-8-13(9-3-10)19-17-14(16-18-19)11-4-6-12(15)7-5-11/h2-9H,1H3
InChIKeyCHSVRVSKTGRBDC-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-2-(4-methylphenyl)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 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole (CID 2797241) is 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole?
The InChIKey is CHSVRVSKTGRBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-10-2-8-13(9-3-10)19-17-14(16-18-19)11-4-6-12(15)7-5-11/h2-9H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole?
5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole has a molecular weight of 270.72 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole is sourced from PubChem (CID 2797241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).