5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one

C14H23N3O3 — CID 106801877

IUPAC5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C14H23N3O3/c1-4-13(18)6-5-7-17-14(19)10-12(11-15-17)16(2)8-9-20-3/h10-11H,4-9H2,1-3H3
InChIKeyAEWRTHVNBDXPDD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.09
Rot. Bonds9

About 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one

5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one (PubChem CID 106801877) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one
PubChem CID106801877
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C14H23N3O3/c1-4-13(18)6-5-7-17-14(19)10-12(11-15-17)16(2)8-9-20-3/h10-11H,4-9H2,1-3H3
InChIKeyAEWRTHVNBDXPDD-UHFFFAOYSA-N
XLogP1.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one (CID 106801877) is 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one is CCC(=O)CCCn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one?
The InChIKey is AEWRTHVNBDXPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-13(18)6-5-7-17-14(19)10-12(11-15-17)16(2)8-9-20-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one?
5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 1.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-2-(4-oxohexyl)pyridazin-3-one is sourced from PubChem (CID 106801877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).