2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C16H22N6OS — CID 126913486

IUPAC2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2nc(C3CCC3)ns2)CC1
InChIInChI=1S/C16H22N6OS/c23-14-5-2-6-17-22(14)12-9-20-7-10-21(11-8-20)16-18-15(19-24-16)13-3-1-4-13/h2,5-6,13H,1,3-4,7-12H2
InChIKeyMKGWLSYTDDIDRA-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913486) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913486
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2nc(C3CCC3)ns2)CC1
InChIInChI=1S/C16H22N6OS/c23-14-5-2-6-17-22(14)12-9-20-7-10-21(11-8-20)16-18-15(19-24-16)13-3-1-4-13/h2,5-6,13H,1,3-4,7-12H2
InChIKeyMKGWLSYTDDIDRA-UHFFFAOYSA-N
XLogP1.18
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-Tert-butyl-2-{[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862564
2-[(1-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperidin-4-yl)methyl]-6-methyl-2,3-dihydropyridazin-3-one
CID 126864009
2-{[1-(3-Cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126864166
2-{[1-(3-Cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}-6-cyclopropyl-2,3-dihydropyridazin-3-one
CID 126865486
2-{2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913401
2-[2-(4-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperazin-1-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126913423
2-{2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913497
2-{2-[4-(3-Cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126913801
6-Tert-butyl-2-{2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126914242
2-{2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126914655
2-{2-[4-(3-Cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126915091
2-{[1-(3-Cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126923322

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913486) is 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCN(c2nc(C3CCC3)ns2)CC1.
What is the InChIKey of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is MKGWLSYTDDIDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c23-14-5-2-6-17-22(14)12-9-20-7-10-21(11-8-20)16-18-15(19-24-16)13-3-1-4-13/h2,5-6,13H,1,3-4,7-12H2.
What are the key properties of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 346.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).