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

C14H23N3O2 — CID 114396727

IUPAC2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCCC(O)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-3-13(18)10-17-14(19)7-12(8-15-17)16-6-4-5-11(2)9-16/h7-8,11,13,18H,3-6,9-10H2,1-2H3
InChIKeyJQCACVNFXBIAES-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.25
Rot. Bonds4

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

2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 114396727) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID114396727
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCCC(O)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-3-13(18)10-17-14(19)7-12(8-15-17)16-6-4-5-11(2)9-16/h7-8,11,13,18H,3-6,9-10H2,1-2H3
InChIKeyJQCACVNFXBIAES-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 104920926
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
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
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
3-hydroxy-4-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394075
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-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one (CID 114396727) is 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one is CCC(O)Cn1ncc(N2CCCC(C)C2)cc1=O.
What is the InChIKey of 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is JQCACVNFXBIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-13(18)10-17-14(19)7-12(8-15-17)16-6-4-5-11(2)9-16/h7-8,11,13,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114396727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).