1-bromo-5-chlorotriazole

C2HBrClN3 — CID 84768860

IUPAC1-bromo-5-chlorotriazole
SMILESClc1cnnn1Br
InChIInChI=1S/C2HBrClN3/c3-7-2(4)1-5-6-7/h1H
InChIKeyFPRHQJMRFVRPPX-UHFFFAOYSA-N
MW182.41 g/mol
LogP1.09
Rot. Bonds

About 1-bromo-5-chlorotriazole

1-bromo-5-chlorotriazole (PubChem CID 84768860) has the molecular formula C2HBrClN3 and a molecular weight of 182.41 g/mol. Its IUPAC name is 1-bromo-5-chlorotriazole.

Molecular Properties

Compound Name1-bromo-5-chlorotriazole
PubChem CID84768860
Molecular FormulaC2HBrClN3
Molecular Weight182.41 g/mol
Exact Mass180.90
IUPAC Name1-bromo-5-chlorotriazole
SMILESClc1cnnn1Br
InChIInChI=1S/C2HBrClN3/c3-7-2(4)1-5-6-7/h1H
InChIKeyFPRHQJMRFVRPPX-UHFFFAOYSA-N
XLogP1.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-bromo-5-chlorotriazole 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 1-bromo-5-chlorotriazole?
The IUPAC name of 1-bromo-5-chlorotriazole (CID 84768860) is 1-bromo-5-chlorotriazole.
What is the SMILES notation for 1-bromo-5-chlorotriazole?
The canonical SMILES for 1-bromo-5-chlorotriazole is Clc1cnnn1Br.
What is the InChIKey of 1-bromo-5-chlorotriazole?
The InChIKey is FPRHQJMRFVRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrClN3/c3-7-2(4)1-5-6-7/h1H.
What are the key properties of 1-bromo-5-chlorotriazole?
1-bromo-5-chlorotriazole has a molecular weight of 182.41 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chlorotriazole is sourced from PubChem (CID 84768860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).