5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole

C14H9BrClN3 — CID 742003

IUPAC5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole
SMILESClc1ccccc1-n1ncnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClN3/c15-11-7-5-10(6-8-11)14-17-9-18-19(14)13-4-2-1-3-12(13)16/h1-9H
InChIKeyFZVINRGQQUCJKI-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.35
Rot. Bonds2

About 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole

5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole (PubChem CID 742003) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole
PubChem CID742003
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole
SMILESClc1ccccc1-n1ncnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClN3/c15-11-7-5-10(6-8-11)14-17-9-18-19(14)13-4-2-1-3-12(13)16/h1-9H
InChIKeyFZVINRGQQUCJKI-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole 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-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
The IUPAC name of 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole (CID 742003) is 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
The canonical SMILES for 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole is Clc1ccccc1-n1ncnc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
The InChIKey is FZVINRGQQUCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-11-7-5-10(6-8-11)14-17-9-18-19(14)13-4-2-1-3-12(13)16/h1-9H.
What are the key properties of 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole has a molecular weight of 334.60 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 742003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).