3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine

C20H20N2OS — CID 7205927

IUPAC3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
SMILESCCOc1ccc(-c2ccc(SCc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H20N2OS/c1-3-23-18-9-7-17(8-10-18)19-11-12-20(22-21-19)24-14-16-6-4-5-15(2)13-16/h4-13H,3,14H2,1-2H3
InChIKeyMXKJGLTWXOGQSL-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.14
Rot. Bonds6

About 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine

3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine (PubChem CID 7205927) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
PubChem CID7205927
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
SMILESCCOc1ccc(-c2ccc(SCc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H20N2OS/c1-3-23-18-9-7-17(8-10-18)19-11-12-20(22-21-19)24-14-16-6-4-5-15(2)13-16/h4-13H,3,14H2,1-2H3
InChIKeyMXKJGLTWXOGQSL-UHFFFAOYSA-N
XLogP5.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
CID 12006192
2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
CID 7222560
4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
CID 132549186
3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
CID 43936932
3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
CID 43936866
N-[(2S)-3-methylbutan-2-yl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6402544
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7205956
6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline
CID 46085082
3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
CID 7672432
3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 7206130

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine (CID 7205927) is 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine is CCOc1ccc(-c2ccc(SCc3cccc(C)c3)nn2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The InChIKey is MXKJGLTWXOGQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-23-18-9-7-17(8-10-18)19-11-12-20(22-21-19)24-14-16-6-4-5-15(2)13-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine has a molecular weight of 336.46 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7205927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).