5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one

C13H22N4O — CID 114395884

IUPAC5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
SMILESCN(C)c1cnn(CCC2CCCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-16(2)12-9-13(18)17(15-10-12)8-6-11-5-3-4-7-14-11/h9-11,14H,3-8H2,1-2H3
InChIKeySSWMKPLUMFQFRU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds4

About 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one

5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one (PubChem CID 114395884) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
PubChem CID114395884
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
SMILESCN(C)c1cnn(CCC2CCCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-16(2)12-9-13(18)17(15-10-12)8-6-11-5-3-4-7-14-11/h9-11,14H,3-8H2,1-2H3
InChIKeySSWMKPLUMFQFRU-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-piperidin-2-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395871
5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
CID 114395947
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
CID 84722940
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114393487
2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397146
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one (CID 114395884) is 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one is CN(C)c1cnn(CCC2CCCCN2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one?
The InChIKey is SSWMKPLUMFQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)12-9-13(18)17(15-10-12)8-6-11-5-3-4-7-14-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one?
5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one is sourced from PubChem (CID 114395884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).