2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C13H21N3O4 — CID 104920963

IUPAC2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H21N3O4/c1-19-9-11(17)7-16-13(18)5-10(6-14-16)15-4-3-12(8-15)20-2/h5-6,11-12,17H,3-4,7-9H2,1-2H3
InChIKeyKZALXQMYMSTHOG-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.52
Rot. Bonds6

About 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 104920963) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID104920963
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H21N3O4/c1-19-9-11(17)7-16-13(18)5-10(6-14-16)15-4-3-12(8-15)20-2/h5-6,11-12,17H,3-4,7-9H2,1-2H3
InChIKeyKZALXQMYMSTHOG-UHFFFAOYSA-N
XLogP-0.52
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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
4-[4-(3-Methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920904
5-(Dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920952
2-(2-Hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one
CID 104920953
2-(2-Hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one
CID 104920954
2-(2-Hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 104920955
2-(2-Hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 104920956
5-[Ethyl(methyl)amino]-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920957
5-(Diethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920958
5-(2,2-Dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920960

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 104920963) is 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is COCC(O)Cn1ncc(N2CCC(OC)C2)cc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is KZALXQMYMSTHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-19-9-11(17)7-16-13(18)5-10(6-14-16)15-4-3-12(8-15)20-2/h5-6,11-12,17H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 283.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 104920963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).