3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

C18H17N3O2S — CID 40532045

IUPAC3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCOc1ccc(-c2ccc(SCc3ccccn3)nn2)c(OC)c1
InChIInChI=1S/C18H17N3O2S/c1-22-14-6-7-15(17(11-14)23-2)16-8-9-18(21-20-16)24-12-13-5-3-4-10-19-13/h3-11H,12H2,1-2H3
InChIKeyUEMRWSAXGALYJK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.85
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (PubChem CID 40532045) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
PubChem CID40532045
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCOc1ccc(-c2ccc(SCc3ccccn3)nn2)c(OC)c1
InChIInChI=1S/C18H17N3O2S/c1-22-14-6-7-15(17(11-14)23-2)16-8-9-18(21-20-16)24-12-13-5-3-4-10-19-13/h3-11H,12H2,1-2H3
InChIKeyUEMRWSAXGALYJK-UHFFFAOYSA-N
XLogP3.85
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672792
6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-amine
CID 15032613
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 43936923
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 7206088
6-(2,4-dimethoxyphenyl)-N-ethylpyridazin-3-amine
CID 62203038
2-[[5-(2-methoxy-4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;hydrochloride
CID 68981543
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
3-(2-methoxyphenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936926
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699469

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (CID 40532045) is 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is COc1ccc(-c2ccc(SCc3ccccn3)nn2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The InChIKey is UEMRWSAXGALYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-22-14-6-7-15(17(11-14)23-2)16-8-9-18(21-20-16)24-12-13-5-3-4-10-19-13/h3-11H,12H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine has a molecular weight of 339.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 40532045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).