5-chloro-1-(4-methylphenyl)tetrazole

C8H7ClN4 — CID 15852120

IUPAC5-chloro-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2Cl)cc1
InChIInChI=1S/C8H7ClN4/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h2-5H,1H3
InChIKeyAVFIIPCVWYXPEO-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.62
Rot. Bonds1

About 5-chloro-1-(4-methylphenyl)tetrazole

5-chloro-1-(4-methylphenyl)tetrazole (PubChem CID 15852120) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-chloro-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-chloro-1-(4-methylphenyl)tetrazole
PubChem CID15852120
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name5-chloro-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2Cl)cc1
InChIInChI=1S/C8H7ClN4/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h2-5H,1H3
InChIKeyAVFIIPCVWYXPEO-UHFFFAOYSA-N
XLogP1.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-(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-chloro-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-chloro-1-(4-methylphenyl)tetrazole (CID 15852120) is 5-chloro-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-chloro-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-chloro-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-methylphenyl)tetrazole?
The InChIKey is AVFIIPCVWYXPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h2-5H,1H3.
What are the key properties of 5-chloro-1-(4-methylphenyl)tetrazole?
5-chloro-1-(4-methylphenyl)tetrazole has a molecular weight of 194.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 15852120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).