6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid

C14H23N3O4 — CID 114393962

IUPAC6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
SMILESCOCCN(C)c1cnn(CCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C14H23N3O4/c1-16(8-9-21-2)12-10-13(18)17(15-11-12)7-5-3-4-6-14(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyJVFXEOPQVNYYPQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.97
Rot. Bonds10

About 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid

6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid (PubChem CID 114393962) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid.

Molecular Properties

Compound Name6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
PubChem CID114393962
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
SMILESCOCCN(C)c1cnn(CCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C14H23N3O4/c1-16(8-9-21-2)12-10-13(18)17(15-11-12)7-5-3-4-6-14(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyJVFXEOPQVNYYPQ-UHFFFAOYSA-N
XLogP0.97
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
CID 114398501
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanethioamide
CID 114395807
2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396847
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
5-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanenitrile
CID 114395684
2-[3-(cyclopropylamino)propyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394769
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395681
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754
2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396759
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid?
The IUPAC name of 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid (CID 114393962) is 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid.
What is the SMILES notation for 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid?
The canonical SMILES for 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid is COCCN(C)c1cnn(CCCCCC(=O)O)c(=O)c1.
What is the InChIKey of 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid?
The InChIKey is JVFXEOPQVNYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-16(8-9-21-2)12-10-13(18)17(15-11-12)7-5-3-4-6-14(19)20/h10-11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid?
6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid has a molecular weight of 297.36 g/mol, XLogP of 0.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid is sourced from PubChem (CID 114393962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).