4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine

C13H18N2S — CID 129143496

IUPAC4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine
SMILESCCC(C)(CC)c1nnc(C)c2ccsc12
InChIInChI=1S/C13H18N2S/c1-5-13(4,6-2)12-11-10(7-8-16-11)9(3)14-15-12/h7-8H,5-6H2,1-4H3
InChIKeyOQQNJRWPCDESKQ-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.08
Rot. Bonds3

About 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine

4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine (PubChem CID 129143496) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine
PubChem CID129143496
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine
SMILESCCC(C)(CC)c1nnc(C)c2ccsc12
InChIInChI=1S/C13H18N2S/c1-5-13(4,6-2)12-11-10(7-8-16-11)9(3)14-15-12/h7-8H,5-6H2,1-4H3
InChIKeyOQQNJRWPCDESKQ-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]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 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine?
The IUPAC name of 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine (CID 129143496) is 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine?
The canonical SMILES for 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine is CCC(C)(CC)c1nnc(C)c2ccsc12.
What is the InChIKey of 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine?
The InChIKey is OQQNJRWPCDESKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-5-13(4,6-2)12-11-10(7-8-16-11)9(3)14-15-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine?
4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine has a molecular weight of 234.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 129143496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).