3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine

C10H15ClN2S — CID 107747457

IUPAC3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine
SMILESCC(C)C(C)SCc1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN2S/c1-7(2)8(3)14-6-9-4-5-10(11)13-12-9/h4-5,7-8H,6H2,1-3H3
InChIKeyAHEJYTFXAKISAM-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.41
Rot. Bonds4

About 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine

3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine (PubChem CID 107747457) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine
PubChem CID107747457
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine
SMILESCC(C)C(C)SCc1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN2S/c1-7(2)8(3)14-6-9-4-5-10(11)13-12-9/h4-5,7-8H,6H2,1-3H3
InChIKeyAHEJYTFXAKISAM-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)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-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine?
The IUPAC name of 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine (CID 107747457) is 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine is CC(C)C(C)SCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine?
The InChIKey is AHEJYTFXAKISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-7(2)8(3)14-6-9-4-5-10(11)13-12-9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine?
3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine has a molecular weight of 230.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine is sourced from PubChem (CID 107747457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).