5-bromo-1-ethyl-1,2,4-triazole

C4H6BrN3 — CID 590265

IUPAC5-bromo-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1Br
InChIInChI=1S/C4H6BrN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3
InChIKeyJHTVMKGZVICRCM-UHFFFAOYSA-N
MW176.02 g/mol
LogP1.06
Rot. Bonds1

About 5-bromo-1-ethyl-1,2,4-triazole

5-bromo-1-ethyl-1,2,4-triazole (PubChem CID 590265) has the molecular formula C4H6BrN3 and a molecular weight of 176.02 g/mol. Its IUPAC name is 5-bromo-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-1,2,4-triazole
PubChem CID590265
Molecular FormulaC4H6BrN3
Molecular Weight176.02 g/mol
Exact Mass174.97
IUPAC Name5-bromo-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1Br
InChIInChI=1S/C4H6BrN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3
InChIKeyJHTVMKGZVICRCM-UHFFFAOYSA-N
XLogP1.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-ethyl-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-bromo-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-bromo-1-ethyl-1,2,4-triazole (CID 590265) is 5-bromo-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-bromo-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-bromo-1-ethyl-1,2,4-triazole is CCn1ncnc1Br.
What is the InChIKey of 5-bromo-1-ethyl-1,2,4-triazole?
The InChIKey is JHTVMKGZVICRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-1,2,4-triazole?
5-bromo-1-ethyl-1,2,4-triazole has a molecular weight of 176.02 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 590265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).