2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one

C13H22N4O2 — CID 103482431

IUPAC2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNCCOCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H22N4O2/c14-4-8-19-9-7-17-13(18)10-12(11-15-17)16-5-2-1-3-6-16/h10-11H,1-9,14H2
InChIKeyAPHZYUDJTSTXLD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.21
Rot. Bonds6

About 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 103482431) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID103482431
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNCCOCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H22N4O2/c14-4-8-19-9-7-17-13(18)10-12(11-15-17)16-5-2-1-3-6-16/h10-11H,1-9,14H2
InChIKeyAPHZYUDJTSTXLD-UHFFFAOYSA-N
XLogP0.21
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
Propyl {2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}carbamate
CID 70730611
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-1-piperidinecarboxamide
CID 70756598
2-[2-[2-(Aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72893567
N-(2-methoxyethyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202193
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
N,N-dimethyl-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}sulfamide
CID 70781144
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylbutanamide
CID 91911848
2-Ethyl-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}butanamide
CID 91911849
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methoxypropanamide
CID 91924054
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one (CID 103482431) is 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one is NCCOCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is APHZYUDJTSTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-4-8-19-9-7-17-13(18)10-12(11-15-17)16-5-2-1-3-6-16/h10-11H,1-9,14H2.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 103482431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).