2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one

C14H22N4O2 — CID 103073056

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
SMILESC=C(CNCC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-3-15-9-12(2)11-18-14(19)8-13(10-16-18)17-4-6-20-7-5-17/h8,10,15H,2-7,9,11H2,1H3
InChIKeyVCXQMXCLCGPUKK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.25
Rot. Bonds6

About 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one

2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 103073056) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID103073056
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
SMILESC=C(CNCC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-3-15-9-12(2)11-18-14(19)8-13(10-16-18)17-4-6-20-7-5-17/h8,10,15H,2-7,9,11H2,1H3
InChIKeyVCXQMXCLCGPUKK-UHFFFAOYSA-N
XLogP0.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2-methoxyethyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203959
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-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
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
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylpropanamide
CID 91924078

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one (CID 103073056) is 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one is C=C(CNCC)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is VCXQMXCLCGPUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-15-9-12(2)11-18-14(19)8-13(10-16-18)17-4-6-20-7-5-17/h8,10,15H,2-7,9,11H2,1H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 103073056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).