2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone

C15H16N4OS — CID 7162441

IUPAC2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2ccncc2)nn1)N1CCCC1
InChIInChI=1S/C15H16N4OS/c20-15(19-9-1-2-10-19)11-21-14-4-3-13(17-18-14)12-5-7-16-8-6-12/h3-8H,1-2,9-11H2
InChIKeyXJLWDAXXGAAUHI-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.25
Rot. Bonds4

About 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 7162441) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID7162441
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2ccncc2)nn1)N1CCCC1
InChIInChI=1S/C15H16N4OS/c20-15(19-9-1-2-10-19)11-21-14-4-3-13(17-18-14)12-5-7-16-8-6-12/h3-8H,1-2,9-11H2
InChIKeyXJLWDAXXGAAUHI-UHFFFAOYSA-N
XLogP2.25
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6862341
3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
1-(2,3-Dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 892299
1-Piperidin-1-yl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 6624152
3-Benzylsulfanyl-6-pyridin-3-ylpyridazine
CID 7207304
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207341
N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207460
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6884677
3-(4-Ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 7162180
3-Benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3719133
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
CID 7207329
1-(Indolin-1-yl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)ethanone
CID 7207393

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 7162441) is 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCC1.
What is the InChIKey of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is XJLWDAXXGAAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-15(19-9-1-2-10-19)11-21-14-4-3-13(17-18-14)12-5-7-16-8-6-12/h3-8H,1-2,9-11H2.
What are the key properties of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 300.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 7162441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).