5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one

C11H17N3O3 — CID 107507890

IUPAC5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CC(=O)COC)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(2)9-5-11(16)14(12-6-9)7-10(15)8-17-3/h5-6H,4,7-8H2,1-3H3
InChIKeyVPXIPHSGFJALCB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.09
Rot. Bonds6

About 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one

5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one (PubChem CID 107507890) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
PubChem CID107507890
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CC(=O)COC)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(2)9-5-11(16)14(12-6-9)7-10(15)8-17-3/h5-6H,4,7-8H2,1-3H3
InChIKeyVPXIPHSGFJALCB-UHFFFAOYSA-N
XLogP-0.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

2-(3-Methoxy-2-oxopropyl)pyridazin-3-one
CID 107507756
2-(3-Methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 107507885
5-(Dimethylamino)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507886
2-(3-Methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 107507887
2-(3-Methoxy-2-oxopropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 107507888
5-[2-Methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507889
2-(3-Methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107507891
2-(3-Methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 107507892
5-(2,2-Dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507893
2-(3-Methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 107507894
2-(3-Methoxy-2-oxopropyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 107507895
2-(3-Methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 107507896

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one (CID 107507890) is 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one is CCN(C)c1cnn(CC(=O)COC)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The InChIKey is VPXIPHSGFJALCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13(2)9-5-11(16)14(12-6-9)7-10(15)8-17-3/h5-6H,4,7-8H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one has a molecular weight of 239.27 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 107507890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).