3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal

C11H17N3O3 — CID 114396153

IUPAC3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal
SMILESCOCCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-13(5-7-17-2)10-8-11(16)14(12-9-10)4-3-6-15/h6,8-9H,3-5,7H2,1-2H3
InChIKeyVONQZOXBRDGMKA-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.09
Rot. Bonds7

About 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal

3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal (PubChem CID 114396153) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal
PubChem CID114396153
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal
SMILESCOCCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-13(5-7-17-2)10-8-11(16)14(12-9-10)4-3-6-15/h6,8-9H,3-5,7H2,1-2H3
InChIKeyVONQZOXBRDGMKA-UHFFFAOYSA-N
XLogP-0.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
Trifluoro-[3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 106746476
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 72875705
2-[2-(Aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103073070
2-(2-Methoxyethyl)-5-(propylamino)pyridazin-3-one
CID 103220243
2-[2-(2-Aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103482436
2-[(2R)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 104920969
2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 104920970
5-[2-Methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one
CID 106801877
2-(3-Aminopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 113579298

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
The IUPAC name of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal (CID 114396153) is 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal.
What is the SMILES notation for 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
The canonical SMILES for 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal is COCCN(C)c1cnn(CCC=O)c(=O)c1.
What is the InChIKey of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
The InChIKey is VONQZOXBRDGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13(5-7-17-2)10-8-11(16)14(12-9-10)4-3-6-15/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal has a molecular weight of 239.27 g/mol, XLogP of -0.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal is sourced from PubChem (CID 114396153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).