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

C12H19N3O3 — CID 107507892

IUPAC2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(=O)COC)c(=O)c1
InChIInChI=1S/C12H19N3O3/c1-4-5-14(2)10-6-12(17)15(13-7-10)8-11(16)9-18-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyWENYAZKUCXQBKA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.31
Rot. Bonds7

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

2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 107507892) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID107507892
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(=O)COC)c(=O)c1
InChIInChI=1S/C12H19N3O3/c1-4-5-14(2)10-6-12(17)15(13-7-10)8-11(16)9-18-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyWENYAZKUCXQBKA-UHFFFAOYSA-N
XLogP0.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.31
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
5-[Ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507890
2-(3-Methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107507891
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 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one (CID 107507892) is 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CC(=O)COC)c(=O)c1.
What is the InChIKey of 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is WENYAZKUCXQBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-14(2)10-6-12(17)15(13-7-10)8-11(16)9-18-3/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 107507892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).