5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one

C14H24N4O3 — CID 56881771

IUPAC5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
SMILESCCOCCn1ncc(N2CCOC(CCN)C2)cc1=O
InChIInChI=1S/C14H24N4O3/c1-2-20-7-6-18-14(19)9-12(10-16-18)17-5-8-21-13(11-17)3-4-15/h9-10,13H,2-8,11,15H2,1H3
InChIKeyITRIKWPCSHQTFC-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.17
Rot. Bonds7

About 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one

5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one (PubChem CID 56881771) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
PubChem CID56881771
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
SMILESCCOCCn1ncc(N2CCOC(CCN)C2)cc1=O
InChIInChI=1S/C14H24N4O3/c1-2-20-7-6-18-14(19)9-12(10-16-18)17-5-8-21-13(11-17)3-4-15/h9-10,13H,2-8,11,15H2,1H3
InChIKeyITRIKWPCSHQTFC-UHFFFAOYSA-N
XLogP-0.17
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}acetamide
CID 56898251
N-(tert-butyl)-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}urea
CID 70717227
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
1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}cyclopropanecarboxamide
CID 56885150
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
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
3,3,3-trifluoro-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56885431
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one (CID 56881771) is 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one is CCOCCn1ncc(N2CCOC(CCN)C2)cc1=O.
What is the InChIKey of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one?
The InChIKey is ITRIKWPCSHQTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-20-7-6-18-14(19)9-12(10-16-18)17-5-8-21-13(11-17)3-4-15/h9-10,13H,2-8,11,15H2,1H3.
What are the key properties of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one?
5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one is sourced from PubChem (CID 56881771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).