2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone

C14H15N3O2S — CID 6624069

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2ccco2)nn1)N1CCCC1
InChIInChI=1S/C14H15N3O2S/c18-14(17-7-1-2-8-17)10-20-13-6-5-11(15-16-13)12-4-3-9-19-12/h3-6,9H,1-2,7-8,10H2
InChIKeySUQTVGBICGDRBA-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.45
Rot. Bonds4

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 6624069) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID6624069
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2ccco2)nn1)N1CCCC1
InChIInChI=1S/C14H15N3O2S/c18-14(17-7-1-2-8-17)10-20-13-6-5-11(15-16-13)12-4-3-9-19-12/h3-6,9H,1-2,7-8,10H2
InChIKeySUQTVGBICGDRBA-UHFFFAOYSA-N
XLogP2.45
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone (CID 6624069) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1ccc(-c2ccco2)nn1)N1CCCC1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is SUQTVGBICGDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(17-7-1-2-8-17)10-20-13-6-5-11(15-16-13)12-4-3-9-19-12/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 289.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6624069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).