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

C17H18N6OS — CID 7532116

IUPAC1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCCCC1
InChIInChI=1S/C17H18N6OS/c24-16(22-10-2-1-3-11-22)12-25-17-20-19-15-5-4-14(21-23(15)17)13-6-8-18-9-7-13/h4-9H,1-3,10-12H2
InChIKeyJKINWLNVNCAKFS-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.29
Rot. Bonds4

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

1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone (PubChem CID 7532116) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
PubChem CID7532116
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCCCC1
InChIInChI=1S/C17H18N6OS/c24-16(22-10-2-1-3-11-22)12-25-17-20-19-15-5-4-14(21-23(15)17)13-6-8-18-9-7-13/h4-9H,1-3,10-12H2
InChIKeyJKINWLNVNCAKFS-UHFFFAOYSA-N
XLogP2.29
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone with MolForge

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Related Compounds

(7-Difluoromethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)-thiomorpholin-4-yl-methanone
CID 655220
2-((4-ET-5-(2-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 1990711
1-(4-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2087343
1-(2,3-Dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2458297
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 3984871
3-[(3-Fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532081
3-[(4-Fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532083
3-((Pyridin-2-ylmethyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194852
3-((Pyridin-3-ylmethyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194854
1-(3-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 16301529
2,5,7-Trimethyl-6-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 3242799
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide
CID 5805048

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone (CID 7532116) is 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone is O=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone?
The InChIKey is JKINWLNVNCAKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(22-10-2-1-3-11-22)12-25-17-20-19-15-5-4-14(21-23(15)17)13-6-8-18-9-7-13/h4-9H,1-3,10-12H2.
What are the key properties of 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone?
1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone has a molecular weight of 354.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 7532116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).