3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

C18H17N3OS — CID 7162173

IUPAC3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCCOc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-22-16-8-6-14(7-9-16)17-10-11-18(21-20-17)23-13-15-5-3-4-12-19-15/h3-12H,2,13H2,1H3
InChIKeyWXZVEOMQTDKONI-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.23
Rot. Bonds6

About 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (PubChem CID 7162173) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
PubChem CID7162173
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCCOc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-22-16-8-6-14(7-9-16)17-10-11-18(21-20-17)23-13-15-5-3-4-12-19-15/h3-12H,2,13H2,1H3
InChIKeyWXZVEOMQTDKONI-UHFFFAOYSA-N
XLogP4.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-Dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 3227972
3-(3,4-Dimethoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
CID 3227970
3-(1,3-Benzodioxol-5-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
CID 7162193
N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207470
3-(3-Methoxyphenyl)-6-((pyridin-2-ylmethyl)thio)pyridazine
CID 7162189
N-(2-methoxybenzyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207466
N-(2-methoxybenzyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207467
N-(4-methoxyphenethyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207478
N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222457
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
4-[4-(2-Methoxyethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709520
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (CID 7162173) is 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is CCOc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The InChIKey is WXZVEOMQTDKONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-22-16-8-6-14(7-9-16)17-10-11-18(21-20-17)23-13-15-5-3-4-12-19-15/h3-12H,2,13H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine has a molecular weight of 323.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 7162173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).