3-methylsulfanyl-6-pyridin-4-ylpyridazine

C10H9N3S — CID 7222422

IUPAC3-methylsulfanyl-6-pyridin-4-ylpyridazine
SMILESCSc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C10H9N3S/c1-14-10-3-2-9(12-13-10)8-4-6-11-7-5-8/h2-7H,1H3
InChIKeyYCHFRSVTAHTDKK-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.26
Rot. Bonds2

About 3-methylsulfanyl-6-pyridin-4-ylpyridazine

3-methylsulfanyl-6-pyridin-4-ylpyridazine (PubChem CID 7222422) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-methylsulfanyl-6-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-pyridin-4-ylpyridazine
PubChem CID7222422
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name3-methylsulfanyl-6-pyridin-4-ylpyridazine
SMILESCSc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C10H9N3S/c1-14-10-3-2-9(12-13-10)8-4-6-11-7-5-8/h2-7H,1H3
InChIKeyYCHFRSVTAHTDKK-UHFFFAOYSA-N
XLogP2.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfanyl-6-pyridin-4-ylpyridazine 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-4-ylpyridazine?
The IUPAC name of 3-methylsulfanyl-6-pyridin-4-ylpyridazine (CID 7222422) is 3-methylsulfanyl-6-pyridin-4-ylpyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-pyridin-4-ylpyridazine?
The canonical SMILES for 3-methylsulfanyl-6-pyridin-4-ylpyridazine is CSc1ccc(-c2ccncc2)nn1.
What is the InChIKey of 3-methylsulfanyl-6-pyridin-4-ylpyridazine?
The InChIKey is YCHFRSVTAHTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-14-10-3-2-9(12-13-10)8-4-6-11-7-5-8/h2-7H,1H3.
What are the key properties of 3-methylsulfanyl-6-pyridin-4-ylpyridazine?
3-methylsulfanyl-6-pyridin-4-ylpyridazine has a molecular weight of 203.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-pyridin-4-ylpyridazine is sourced from PubChem (CID 7222422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).