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

C15H16N4OS — CID 7207376

IUPAC2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)N1CCCC1
InChIInChI=1S/C15H16N4OS/c20-15(19-8-1-2-9-19)11-21-14-6-5-13(17-18-14)12-4-3-7-16-10-12/h3-7,10H,1-2,8-9,11H2
InChIKeyHLLJBYFKLRJMRR-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.25
Rot. Bonds4

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

2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 7207376) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID7207376
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)N1CCCC1
InChIInChI=1S/C15H16N4OS/c20-15(19-8-1-2-9-19)11-21-14-6-5-13(17-18-14)12-4-3-7-16-10-12/h3-7,10H,1-2,8-9,11H2
InChIKeyHLLJBYFKLRJMRR-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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Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 7207376) is 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1ccc(-c2cccnc2)nn1)N1CCCC1.
What is the InChIKey of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is HLLJBYFKLRJMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-15(19-8-1-2-9-19)11-21-14-6-5-13(17-18-14)12-4-3-7-16-10-12/h3-7,10H,1-2,8-9,11H2.
What are the key properties of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(6-pyridin-3-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-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 7207376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).