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

C11H10N4S2 — CID 7531836

IUPAC3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C11H10N4S2/c1-2-16-11-13-12-10-6-5-8(14-15(10)11)9-4-3-7-17-9/h3-7H,2H2,1H3
InChIKeyOKZLHEZOVQRYAC-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.96
Rot. Bonds3

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

3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7531836) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7531836
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC Name3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C11H10N4S2/c1-2-16-11-13-12-10-6-5-8(14-15(10)11)9-4-3-7-17-9/h3-7H,2H2,1H3
InChIKeyOKZLHEZOVQRYAC-UHFFFAOYSA-N
XLogP2.96
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethylsulfanyl-6-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 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7531836) is 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CCSc1nnc2ccc(-c3cccs3)nn12.
What is the InChIKey of 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OKZLHEZOVQRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c1-2-16-11-13-12-10-6-5-8(14-15(10)11)9-4-3-7-17-9/h3-7H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 262.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7531836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).