2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

C14H24N4O3 — CID 103482437

IUPAC2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCOCCN)c(=O)c2)CCO1
InChIInChI=1S/C14H24N4O3/c1-14(2)11-17(4-8-21-14)12-9-13(19)18(16-10-12)5-7-20-6-3-15/h9-10H,3-8,11,15H2,1-2H3
InChIKeyXQGLIYBLYDNJEM-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.17
Rot. Bonds6

About 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (PubChem CID 103482437) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
PubChem CID103482437
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCOCCN)c(=O)c2)CCO1
InChIInChI=1S/C14H24N4O3/c1-14(2)11-17(4-8-21-14)12-9-13(19)18(16-10-12)5-7-20-6-3-15/h9-10H,3-8,11,15H2,1-2H3
InChIKeyXQGLIYBLYDNJEM-UHFFFAOYSA-N
XLogP-0.17
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
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

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-hydroxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}acetamide
CID 56898251
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
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
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (CID 103482437) is 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is CC1(C)CN(c2cnn(CCOCCN)c(=O)c2)CCO1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is XQGLIYBLYDNJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2)11-17(4-8-21-14)12-9-13(19)18(16-10-12)5-7-20-6-3-15/h9-10H,3-8,11,15H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 103482437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).