2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one

C12H20N4O2 — CID 13103558

IUPAC2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one
SMILESNCCCCn1nc(N2CCOCC2)ccc1=O
InChIInChI=1S/C12H20N4O2/c13-5-1-2-6-16-12(17)4-3-11(14-16)15-7-9-18-10-8-15/h3-4H,1-2,5-10,13H2
InChIKeyKMCBJEIMVOXPOU-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.18
Rot. Bonds5

About 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one

2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one (PubChem CID 13103558) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one
PubChem CID13103558
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one
SMILESNCCCCn1nc(N2CCOCC2)ccc1=O
InChIInChI=1S/C12H20N4O2/c13-5-1-2-6-16-12(17)4-3-11(14-16)15-7-9-18-10-8-15/h3-4H,1-2,5-10,13H2
InChIKeyKMCBJEIMVOXPOU-UHFFFAOYSA-N
XLogP-0.18
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyano-2-methyl-3-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)butyl]guanidine
CID 12850798
6-(4-morpholinyl)-3(2H)-pyridazinone
CID 11052261
6-(3-Aminopiperidin-1-YL)-2-(2-methoxyethyl)-2,3-dihydropyridazin-3-one
CID 124052727
3-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride
CID 23448464
2-(2-Morpholin-4-ylethyl)-6-piperazin-1-ylpyridazin-3-one
CID 59144387
2-(2-Morpholin-4-yl-2-oxoethyl)-6-piperazin-1-ylpyridazin-3-one
CID 68026825
N-(3-methoxypropyl)-2-(3-morpholino-6-oxopyridazin-1(6H)-yl)acetamide
CID 52900298
N-cyclopentyl-2-[3-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 52900490
6-(morpholin-4-yl)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]pyridazin-3(2H)-one
CID 52900503
N-(2-methylpropyl)-2-[3-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 52900977
N-(3-methylbutyl)-2-[3-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 52902750
N-cyclopropyl-2-(3-morpholino-6-oxopyridazin-1(6H)-yl)acetamide
CID 52903020

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one (CID 13103558) is 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one is NCCCCn1nc(N2CCOCC2)ccc1=O.
What is the InChIKey of 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one?
The InChIKey is KMCBJEIMVOXPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-5-1-2-6-16-12(17)4-3-11(14-16)15-7-9-18-10-8-15/h3-4H,1-2,5-10,13H2.
What are the key properties of 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one?
2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one has a molecular weight of 252.32 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-6-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 13103558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).