3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

C5H2BrClN4 — CID 3770603

IUPAC3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Br)n2n1
InChIInChI=1S/C5H2BrClN4/c6-5-9-8-4-2-1-3(7)10-11(4)5/h1-2H
InChIKeyCGCZYGSVCBHXEC-UHFFFAOYSA-N
MW233.46 g/mol
LogP1.54
Rot. Bonds

About 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 3770603) has the molecular formula C5H2BrClN4 and a molecular weight of 233.46 g/mol. Its IUPAC name is 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID3770603
Molecular FormulaC5H2BrClN4
Molecular Weight233.46 g/mol
Exact Mass231.92
IUPAC Name3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Br)n2n1
InChIInChI=1S/C5H2BrClN4/c6-5-9-8-4-2-1-3(7)10-11(4)5/h1-2H
InChIKeyCGCZYGSVCBHXEC-UHFFFAOYSA-N
XLogP1.54
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.46
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (CID 3770603) is 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(Br)n2n1.
What is the InChIKey of 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CGCZYGSVCBHXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN4/c6-5-9-8-4-2-1-3(7)10-11(4)5/h1-2H.
What are the key properties of 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 233.46 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 3770603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).