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

C14H24N4O — CID 114393793

IUPAC2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCCN(c2cnn(CCCCN)c(=O)c2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-4-7-17(11-12)13-9-14(19)18(16-10-13)8-3-2-6-15/h9-10,12H,2-8,11,15H2,1H3
InChIKeyDWKTWJVANGEIMG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds5

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

2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 114393793) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID114393793
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCCN(c2cnn(CCCCN)c(=O)c2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-4-7-17(11-12)13-9-14(19)18(16-10-13)8-3-2-6-15/h9-10,12H,2-8,11,15H2,1H3
InChIKeyDWKTWJVANGEIMG-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.22
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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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202063
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
N-butyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202111

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one (CID 114393793) is 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one is CC1CCCN(c2cnn(CCCCN)c(=O)c2)C1.
What is the InChIKey of 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is DWKTWJVANGEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-5-4-7-17(11-12)13-9-14(19)18(16-10-13)8-3-2-6-15/h9-10,12H,2-8,11,15H2,1H3.
What are the key properties of 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 264.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114393793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).