5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

C15H24N4O2 — CID 103073098

IUPAC5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-12(8-16-4)10-19-14(20)7-13(9-17-19)18-5-6-21-15(2,3)11-18/h7,9,16H,1,5-6,8,10-11H2,2-4H3
InChIKeyFUVDLBPEXIEUTJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.63
Rot. Bonds5

About 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073098) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073098
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-12(8-16-4)10-19-14(20)7-13(9-17-19)18-5-6-21-15(2,3)11-18/h7,9,16H,1,5-6,8,10-11H2,2-4H3
InChIKeyFUVDLBPEXIEUTJ-UHFFFAOYSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.63
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
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
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
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2,2-dimethylpropanamide
CID 91924089
4-(Aminomethyl)-2-methyl-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 46848992
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one
CID 103366654
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
3-methoxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56881900
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one
CID 56882486
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(cyclopropylmethyl)-3(2H)-pyridazinone
CID 56901306

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073098) is 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNC)Cn1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is FUVDLBPEXIEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(8-16-4)10-19-14(20)7-13(9-17-19)18-5-6-21-15(2,3)11-18/h7,9,16H,1,5-6,8,10-11H2,2-4H3.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).