3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C11H9N5S — CID 7217669

IUPAC3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1nnc2ccc(-c3ccccn3)nn12
InChIInChI=1S/C11H9N5S/c1-17-11-14-13-10-6-5-9(15-16(10)11)8-4-2-3-7-12-8/h2-7H,1H3
InChIKeyHTZZGYVXYFOCPP-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.91
Rot. Bonds2

About 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7217669) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7217669
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1nnc2ccc(-c3ccccn3)nn12
InChIInChI=1S/C11H9N5S/c1-17-11-14-13-10-6-5-9(15-16(10)11)8-4-2-3-7-12-8/h2-7H,1H3
InChIKeyHTZZGYVXYFOCPP-UHFFFAOYSA-N
XLogP1.91
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methylsulfanyl-6-pyridin-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-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7217669) is 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CSc1nnc2ccc(-c3ccccn3)nn12.
What is the InChIKey of 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HTZZGYVXYFOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-17-11-14-13-10-6-5-9(15-16(10)11)8-4-2-3-7-12-8/h2-7H,1H3.
What are the key properties of 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 243.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7217669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).