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

C9H6BrClFN3 — CID 65437027

IUPAC4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1ccc(Br)c(F)c1
InChIInChI=1S/C9H6BrClFN3/c1-5-13-14-9(11)15(5)6-2-3-7(10)8(12)4-6/h2-4H,1H3
InChIKeyRGJNYSXHNXUOGE-UHFFFAOYSA-N
MW290.52 g/mol
LogP3.13
Rot. Bonds1

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

4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole (PubChem CID 65437027) has the molecular formula C9H6BrClFN3 and a molecular weight of 290.52 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
PubChem CID65437027
Molecular FormulaC9H6BrClFN3
Molecular Weight290.52 g/mol
Exact Mass288.94
IUPAC Name4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1ccc(Br)c(F)c1
InChIInChI=1S/C9H6BrClFN3/c1-5-13-14-9(11)15(5)6-2-3-7(10)8(12)4-6/h2-4H,1H3
InChIKeyRGJNYSXHNXUOGE-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-3-fluorophenyl)-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-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole (CID 65437027) is 4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole is Cc1nnc(Cl)n1-c1ccc(Br)c(F)c1.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
The InChIKey is RGJNYSXHNXUOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN3/c1-5-13-14-9(11)15(5)6-2-3-7(10)8(12)4-6/h2-4H,1H3.
What are the key properties of 4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole has a molecular weight of 290.52 g/mol, XLogP of 3.13, 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-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole is sourced from PubChem (CID 65437027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).