4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole

C10H9BrClN3 — CID 63384768

IUPAC4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1cc(-n2c(C)nnc2Cl)ccc1Br
InChIInChI=1S/C10H9BrClN3/c1-6-5-8(3-4-9(6)11)15-7(2)13-14-10(15)12/h3-5H,1-2H3
InChIKeyYJHYFKMIDYULOZ-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.30
Rot. Bonds1

About 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole

4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole (PubChem CID 63384768) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole
PubChem CID63384768
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1cc(-n2c(C)nnc2Cl)ccc1Br
InChIInChI=1S/C10H9BrClN3/c1-6-5-8(3-4-9(6)11)15-7(2)13-14-10(15)12/h3-5H,1-2H3
InChIKeyYJHYFKMIDYULOZ-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-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 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole (CID 63384768) is 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole is Cc1cc(-n2c(C)nnc2Cl)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
The InChIKey is YJHYFKMIDYULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-6-5-8(3-4-9(6)11)15-7(2)13-14-10(15)12/h3-5H,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole has a molecular weight of 286.56 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole is sourced from PubChem (CID 63384768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).