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

C12H19N3O4 — CID 107507889

IUPAC5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCOCCN(C)c1cnn(CC(=O)COC)c(=O)c1
InChIInChI=1S/C12H19N3O4/c1-14(4-5-18-2)10-6-12(17)15(13-7-10)8-11(16)9-19-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyHJMIMBWNVUQRQZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.46
Rot. Bonds8

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

5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one (PubChem CID 107507889) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
PubChem CID107507889
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCOCCN(C)c1cnn(CC(=O)COC)c(=O)c1
InChIInChI=1S/C12H19N3O4/c1-14(4-5-18-2)10-6-12(17)15(13-7-10)8-11(16)9-19-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyHJMIMBWNVUQRQZ-UHFFFAOYSA-N
XLogP-0.46
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one (CID 107507889) is 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one is COCCN(C)c1cnn(CC(=O)COC)c(=O)c1.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The InChIKey is HJMIMBWNVUQRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-14(4-5-18-2)10-6-12(17)15(13-7-10)8-11(16)9-19-3/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one has a molecular weight of 269.30 g/mol, XLogP of -0.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 107507889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).