2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C13H19N3O4 — CID 107507896

IUPAC2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H19N3O4/c1-19-9-11(17)7-16-13(18)5-10(6-14-16)15-4-3-12(8-15)20-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyBDQBVCQNIYTJFW-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.32
Rot. Bonds6

About 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 107507896) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID107507896
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H19N3O4/c1-19-9-11(17)7-16-13(18)5-10(6-14-16)15-4-3-12(8-15)20-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyBDQBVCQNIYTJFW-UHFFFAOYSA-N
XLogP-0.32
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
2-Fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579366
Trifluoro-[3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 113872707
Ethyl 2-fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114394178
2-(2-Hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920963
2-[(2R)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920982
2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920983
5-(3-Methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one
CID 106801882
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
5-[2-Methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507889

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 107507896) is 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is COCC(=O)Cn1ncc(N2CCC(OC)C2)cc1=O.
What is the InChIKey of 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is BDQBVCQNIYTJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-9-11(17)7-16-13(18)5-10(6-14-16)15-4-3-12(8-15)20-2/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 281.31 g/mol, XLogP of -0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 107507896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).