1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone

C15H15N5OS2 — CID 7190321

IUPAC1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
SMILESO=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1
InChIInChI=1S/C15H15N5OS2/c21-14(19-7-1-2-8-19)10-23-13-6-5-12-16-17-15(20(12)18-13)11-4-3-9-22-11/h3-6,9H,1-2,7-8,10H2
InChIKeyZDQYBNRAGANZJT-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.57
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone

1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone (PubChem CID 7190321) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
PubChem CID7190321
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
SMILESO=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1
InChIInChI=1S/C15H15N5OS2/c21-14(19-7-1-2-8-19)10-23-13-6-5-12-16-17-15(20(12)18-13)11-4-3-9-22-11/h3-6,9H,1-2,7-8,10H2
InChIKeyZDQYBNRAGANZJT-UHFFFAOYSA-N
XLogP2.57
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-Ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190319
(5-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-yl-methanone
CID 18677544
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635
methyl (2S)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
CID 7190424
methyl (2R)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
CID 7190426
Methyl 2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)propanoate
CID 16798824
Methyl 2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate
CID 18561027
2-[(3-Thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide
CID 71579010
3-Methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide
CID 71579011
2-[1-[(3-Thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 71579087
Ethyl 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
CID 5310124
2-(5-Amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655492

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone (CID 7190321) is 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone is O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
The InChIKey is ZDQYBNRAGANZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c21-14(19-7-1-2-8-19)10-23-13-6-5-12-16-17-15(20(12)18-13)11-4-3-9-22-11/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone is sourced from PubChem (CID 7190321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).