5-[3-(4-chlorophenyl)propyl]-2H-tetrazole

C10H11ClN4 — CID 69284170

IUPAC5-[3-(4-chlorophenyl)propyl]-2H-tetrazole
SMILESClc1ccc(CCCc2nn[nH]n2)cc1
InChIInChI=1S/C10H11ClN4/c11-9-6-4-8(5-7-9)2-1-3-10-12-14-15-13-10/h4-7H,1-3H2,(H,12,13,14,15)
InChIKeyYFOLUNPQMKNZMI-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.03
Rot. Bonds4

About 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole

5-[3-(4-chlorophenyl)propyl]-2H-tetrazole (PubChem CID 69284170) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)propyl]-2H-tetrazole
PubChem CID69284170
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-[3-(4-chlorophenyl)propyl]-2H-tetrazole
SMILESClc1ccc(CCCc2nn[nH]n2)cc1
InChIInChI=1S/C10H11ClN4/c11-9-6-4-8(5-7-9)2-1-3-10-12-14-15-13-10/h4-7H,1-3H2,(H,12,13,14,15)
InChIKeyYFOLUNPQMKNZMI-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(4-chlorophenyl)propyl]-2H-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-[3-(4-chlorophenyl)propyl]-2H-tetrazole?
The IUPAC name of 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole (CID 69284170) is 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole is Clc1ccc(CCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole?
The InChIKey is YFOLUNPQMKNZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-9-6-4-8(5-7-9)2-1-3-10-12-14-15-13-10/h4-7H,1-3H2,(H,12,13,14,15).
What are the key properties of 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole?
5-[3-(4-chlorophenyl)propyl]-2H-tetrazole has a molecular weight of 222.68 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)propyl]-2H-tetrazole is sourced from PubChem (CID 69284170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).