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

C9H5ClN4S — CID 43144402

IUPAC6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C9H5ClN4S/c10-7-3-4-8-11-12-9(14(8)13-7)6-2-1-5-15-6/h1-5H
InChIKeyLSFZNWXRRZAWIN-UHFFFAOYSA-N
MW236.69 g/mol
LogP2.51
Rot. Bonds1

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

6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43144402) has the molecular formula C9H5ClN4S and a molecular weight of 236.69 g/mol. Its IUPAC name is 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43144402
Molecular FormulaC9H5ClN4S
Molecular Weight236.69 g/mol
Exact Mass235.99
IUPAC Name6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C9H5ClN4S/c10-7-3-4-8-11-12-9(14(8)13-7)6-2-1-5-15-6/h1-5H
InChIKeyLSFZNWXRRZAWIN-UHFFFAOYSA-N
XLogP2.51
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine 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 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 43144402) is 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(-c3cccs3)n2n1.
What is the InChIKey of 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LSFZNWXRRZAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4S/c10-7-3-4-8-11-12-9(14(8)13-7)6-2-1-5-15-6/h1-5H.
What are the key properties of 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 236.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43144402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).