2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C12H21N3O4 — CID 104920956

IUPAC2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CC(O)COC)c(=O)c1
InChIInChI=1S/C12H21N3O4/c1-14(4-5-18-2)10-6-12(17)15(13-7-10)8-11(16)9-19-3/h6-7,11,16H,4-5,8-9H2,1-3H3
InChIKeyANQXSDPLGWCKBX-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.67
Rot. Bonds8

About 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 104920956) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID104920956
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CC(O)COC)c(=O)c1
InChIInChI=1S/C12H21N3O4/c1-14(4-5-18-2)10-6-12(17)15(13-7-10)8-11(16)9-19-3/h6-7,11,16H,4-5,8-9H2,1-3H3
InChIKeyANQXSDPLGWCKBX-UHFFFAOYSA-N
XLogP-0.67
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 104920956) is 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(CC(O)COC)c(=O)c1.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is ANQXSDPLGWCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(4-5-18-2)10-6-12(17)15(13-7-10)8-11(16)9-19-3/h6-7,11,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(2-hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 271.32 g/mol, XLogP of -0.67, 8 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-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 104920956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).