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

C13H20N4O2 — CID 103073057

IUPAC2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-11(8-14-2)10-17-13(18)7-12(9-15-17)16-3-5-19-6-4-16/h7,9,14H,1,3-6,8,10H2,2H3
InChIKeyZZGYOGHXWNSNIY-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.14
Rot. Bonds5

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

2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 103073057) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID103073057
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-11(8-14-2)10-17-13(18)7-12(9-15-17)16-3-5-19-6-4-16/h7,9,14H,1,3-6,8,10H2,2H3
InChIKeyZZGYOGHXWNSNIY-UHFFFAOYSA-N
XLogP-0.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.14
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

2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
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-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
2-Methoxy-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}acetamide
CID 91924087
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}pentanamide
CID 91924088
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one (CID 103073057) is 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one is C=C(CNC)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is ZZGYOGHXWNSNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-11(8-14-2)10-17-13(18)7-12(9-15-17)16-3-5-19-6-4-16/h7,9,14H,1,3-6,8,10H2,2H3.
What are the key properties of 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 103073057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).