3-benzylsulfanyl-6-(furan-2-yl)pyridazine

C15H12N2OS — CID 6624186

IUPAC3-benzylsulfanyl-6-(furan-2-yl)pyridazine
SMILESc1ccc(CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-5-12(6-3-1)11-19-15-9-8-13(16-17-15)14-7-4-10-18-14/h1-10H,11H2
InChIKeyLPZMKTPBRVFLKM-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.03
Rot. Bonds4

About 3-benzylsulfanyl-6-(furan-2-yl)pyridazine

3-benzylsulfanyl-6-(furan-2-yl)pyridazine (PubChem CID 6624186) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-benzylsulfanyl-6-(furan-2-yl)pyridazine.

Molecular Properties

Compound Name3-benzylsulfanyl-6-(furan-2-yl)pyridazine
PubChem CID6624186
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name3-benzylsulfanyl-6-(furan-2-yl)pyridazine
SMILESc1ccc(CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-5-12(6-3-1)11-19-15-9-8-13(16-17-15)14-7-4-10-18-14/h1-10H,11H2
InChIKeyLPZMKTPBRVFLKM-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzylsulfanyl-6-(furan-2-yl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(Furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 6624069
2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205890
3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207095
N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207099
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7207115
1-(Azepan-1-yl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone
CID 7207196
1-(6-(Furan-2-yl)-pyridazin-3-yl)-7-phenylheptan-1-one
CID 24950527
3-(Furan-2-yl)-6-(methylsulfanyl)pyridazine
CID 6624109
N-Furan-2-ylmethyl-2-(6-phenyl-pyridazin-3-ylsulfanyl)-acetamide
CID 3228000
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 6624223
3-[(3-Fluorophenyl)methylthio]-6-(2-furanyl)pyridazine
CID 7207093
3-(Furan-2-yl)-6-((4-methylbenzyl)thio)pyridazine
CID 7207103

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-6-(furan-2-yl)pyridazine?
The IUPAC name of 3-benzylsulfanyl-6-(furan-2-yl)pyridazine (CID 6624186) is 3-benzylsulfanyl-6-(furan-2-yl)pyridazine.
What is the SMILES notation for 3-benzylsulfanyl-6-(furan-2-yl)pyridazine?
The canonical SMILES for 3-benzylsulfanyl-6-(furan-2-yl)pyridazine is c1ccc(CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of 3-benzylsulfanyl-6-(furan-2-yl)pyridazine?
The InChIKey is LPZMKTPBRVFLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-2-5-12(6-3-1)11-19-15-9-8-13(16-17-15)14-7-4-10-18-14/h1-10H,11H2.
What are the key properties of 3-benzylsulfanyl-6-(furan-2-yl)pyridazine?
3-benzylsulfanyl-6-(furan-2-yl)pyridazine has a molecular weight of 268.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-6-(furan-2-yl)pyridazine is sourced from PubChem (CID 6624186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).