2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one

C15H26N4O — CID 114395377

IUPAC2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCCCC(N)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C15H26N4O/c1-3-5-13(16)11-19-15(20)8-14(9-17-19)18-7-4-6-12(2)10-18/h8-9,12-13H,3-7,10-11,16H2,1-2H3
InChIKeyGONSDUVUAYHIQZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.61
Rot. Bonds5

About 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one

2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 114395377) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID114395377
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCCCC(N)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C15H26N4O/c1-3-5-13(16)11-19-15(20)8-14(9-17-19)18-7-4-6-12(2)10-18/h8-9,12-13H,3-7,10-11,16H2,1-2H3
InChIKeyGONSDUVUAYHIQZ-UHFFFAOYSA-N
XLogP1.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 104920926
2-(2-hydroxypentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114397165
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
3-hydroxy-4-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394160
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-(5-bromo-3-methylpentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114394465
2-(2-aminopentyl)-5-methylpyridazin-3-one
CID 106548547
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
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395614

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one (CID 114395377) is 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one is CCCC(N)Cn1ncc(N2CCCC(C)C2)cc1=O.
What is the InChIKey of 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is GONSDUVUAYHIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-13(16)11-19-15(20)8-14(9-17-19)18-7-4-6-12(2)10-18/h8-9,12-13H,3-7,10-11,16H2,1-2H3.
What are the key properties of 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114395377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).