6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid

C10H15N3O4 — CID 121206132

IUPAC6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid
SMILESCOC(CN(C)c1ccc(C(=O)O)nn1)OC
InChIInChI=1S/C10H15N3O4/c1-13(6-9(16-2)17-3)8-5-4-7(10(14)15)11-12-8/h4-5,9H,6H2,1-3H3,(H,14,15)
InChIKeyRFPBAIFQQXAVDT-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.23
Rot. Bonds6

About 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid

6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid (PubChem CID 121206132) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid
PubChem CID121206132
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid
SMILESCOC(CN(C)c1ccc(C(=O)O)nn1)OC
InChIInChI=1S/C10H15N3O4/c1-13(6-9(16-2)17-3)8-5-4-7(10(14)15)11-12-8/h4-5,9H,6H2,1-3H3,(H,14,15)
InChIKeyRFPBAIFQQXAVDT-UHFFFAOYSA-N
XLogP0.23
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid (CID 121206132) is 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid is COC(CN(C)c1ccc(C(=O)O)nn1)OC.
What is the InChIKey of 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is RFPBAIFQQXAVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-13(6-9(16-2)17-3)8-5-4-7(10(14)15)11-12-8/h4-5,9H,6H2,1-3H3,(H,14,15).
What are the key properties of 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid?
6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethoxyethyl(methyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 121206132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).