2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one

C14H23N3O2 — CID 114396619

IUPAC2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCN(c2cnn(CCCCO)c(=O)c2)CC1
InChIInChI=1S/C14H23N3O2/c1-12-4-7-16(8-5-12)13-10-14(19)17(15-11-13)6-2-3-9-18/h10-12,18H,2-9H2,1H3
InChIKeyQVFUBDZQAOSIAJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.25
Rot. Bonds5

About 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one

2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 114396619) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID114396619
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCN(c2cnn(CCCCO)c(=O)c2)CC1
InChIInChI=1S/C14H23N3O2/c1-12-4-7-16(8-5-12)13-10-14(19)17(15-11-13)6-2-3-9-18/h10-12,18H,2-9H2,1H3
InChIKeyQVFUBDZQAOSIAJ-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (CID 114396619) is 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is CC1CCN(c2cnn(CCCCO)c(=O)c2)CC1.
What is the InChIKey of 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is QVFUBDZQAOSIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-4-7-16(8-5-12)13-10-14(19)17(15-11-13)6-2-3-9-18/h10-12,18H,2-9H2,1H3.
What are the key properties of 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114396619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).