3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

C18H23N3OS — CID 7672473

IUPAC3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESCOc1cccc(-c2ccc(SCCN3CCCCC3)nn2)c1
InChIInChI=1S/C18H23N3OS/c1-22-16-7-5-6-15(14-16)17-8-9-18(20-19-17)23-13-12-21-10-3-2-4-11-21/h5-9,14H,2-4,10-13H2,1H3
InChIKeyPONKRPOJYYRQOQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.73
Rot. Bonds6

About 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (PubChem CID 7672473) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
PubChem CID7672473
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESCOc1cccc(-c2ccc(SCCN3CCCCC3)nn2)c1
InChIInChI=1S/C18H23N3OS/c1-22-16-7-5-6-15(14-16)17-8-9-18(20-19-17)23-13-12-21-10-3-2-4-11-21/h5-9,14H,2-4,10-13H2,1H3
InChIKeyPONKRPOJYYRQOQ-UHFFFAOYSA-N
XLogP3.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-piperidin-1-ylethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 7672513
3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
CID 7672432
N-(furan-2-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936677
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
N-(3-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502874
N-(2-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502862
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
N-(1,3-benzodioxol-5-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502861
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 7502877
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18562261
2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine
CID 51057856
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The IUPAC name of 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (CID 7672473) is 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The canonical SMILES for 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is COc1cccc(-c2ccc(SCCN3CCCCC3)nn2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The InChIKey is PONKRPOJYYRQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-22-16-7-5-6-15(14-16)17-8-9-18(20-19-17)23-13-12-21-10-3-2-4-11-21/h5-9,14H,2-4,10-13H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine has a molecular weight of 329.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is sourced from PubChem (CID 7672473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).