5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one

C13H22N4O — CID 114395928

IUPAC5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CC2CCCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-3-16(2)12-8-13(18)17(15-9-12)10-11-6-4-5-7-14-11/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyFCFAMXRXMLKDLR-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds4

About 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one

5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one (PubChem CID 114395928) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
PubChem CID114395928
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CC2CCCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-3-16(2)12-8-13(18)17(15-9-12)10-11-6-4-5-7-14-11/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyFCFAMXRXMLKDLR-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

Analyze 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
CID 114395884
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
CID 114395947
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
5-morpholin-4-yl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819931
5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide
CID 114398521
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819951
5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
CID 114399038
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one (CID 114395928) is 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one is CCN(C)c1cnn(CC2CCCCN2)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one?
The InChIKey is FCFAMXRXMLKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16(2)12-8-13(18)17(15-9-12)10-11-6-4-5-7-14-11/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one?
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)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-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114395928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).