5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

C13H22N4O2 — CID 103073072

IUPAC5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C13H22N4O2/c1-11(8-14-2)10-17-13(18)7-12(9-15-17)16(3)5-6-19-4/h7,9,14H,1,5-6,8,10H2,2-4H3
InChIKeyKQUMUVGKLZPMAB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.10
Rot. Bonds8

About 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073072) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073072
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C13H22N4O2/c1-11(8-14-2)10-17-13(18)7-12(9-15-17)16(3)5-6-19-4/h7,9,14H,1,5-6,8,10H2,2-4H3
InChIKeyKQUMUVGKLZPMAB-UHFFFAOYSA-N
XLogP0.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.10
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-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
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
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103366656
5-[2-Methoxyethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397569
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-propoxyacetamide
CID 70744808
2-ethoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70775668
N-{1-[1-(2-Methoxyethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-4-YL}propanamide
CID 91903409
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide
CID 96390940

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073072) is 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNC)Cn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is KQUMUVGKLZPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(8-14-2)10-17-13(18)7-12(9-15-17)16(3)5-6-19-4/h7,9,14H,1,5-6,8,10H2,2-4H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).