2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one

C13H22N4O — CID 104920926

IUPAC2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCCN(c2cnn(C[C@H](C)N)c(=O)c2)C1
InChIInChI=1S/C13H22N4O/c1-10-4-3-5-16(8-10)12-6-13(18)17(15-7-12)9-11(2)14/h6-7,10-11H,3-5,8-9,14H2,1-2H3/t10?,11-/m0/s1
InChIKeyJAYLLEDHSSNTCC-DTIOYNMSSA-N
MW250.35 g/mol
LogP0.83
Rot. Bonds3

About 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one

2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 104920926) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID104920926
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCCN(c2cnn(C[C@H](C)N)c(=O)c2)C1
InChIInChI=1S/C13H22N4O/c1-10-4-3-5-16(8-10)12-6-13(18)17(15-7-12)9-11(2)14/h6-7,10-11H,3-5,8-9,14H2,1-2H3/t10?,11-/m0/s1
InChIKeyJAYLLEDHSSNTCC-DTIOYNMSSA-N
XLogP0.83
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395377
2-amino-3-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394158
2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114396727
2-(2-hydroxypentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114397165
3-hydroxy-4-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394160
2-(5-bromo-3-methylpentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114394465
2-[(2R)-2-aminopropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920927
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
2-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetonitrile
CID 114395748
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395614
5-(3-methylpiperidin-1-yl)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074106
5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
CID 114396318

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one (CID 104920926) is 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one is CC1CCCN(c2cnn(C[C@H](C)N)c(=O)c2)C1.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is JAYLLEDHSSNTCC-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-4-3-5-16(8-10)12-6-13(18)17(15-7-12)9-11(2)14/h6-7,10-11H,3-5,8-9,14H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 104920926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).