3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid

C15H22N2O3 — CID 106206440

IUPAC3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(OCCC2CCC2)c(C(=O)O)c1CC
InChIInChI=1S/C15H22N2O3/c1-3-11-12(4-2)16-17-14(13(11)15(18)19)20-9-8-10-6-5-7-10/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyXMZHUFCODHZBBD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.87
Rot. Bonds7

About 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid

3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid (PubChem CID 106206440) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid
PubChem CID106206440
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(OCCC2CCC2)c(C(=O)O)c1CC
InChIInChI=1S/C15H22N2O3/c1-3-11-12(4-2)16-17-14(13(11)15(18)19)20-9-8-10-6-5-7-10/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyXMZHUFCODHZBBD-UHFFFAOYSA-N
XLogP2.87
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-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

Related Compounds

3-(2-cyclobutylethoxy)-5,6-diethyl-N'-hydroxypyridazine-4-carboximidamide
CID 136731216
5,6-diethyl-3-(3-hydroxypropoxy)pyridazine-4-carboxylic acid
CID 80517318
3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid
CID 80515523
5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid
CID 106450322
5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
CID 80517770
3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
CID 106206427
5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
CID 80517098
5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid
CID 106137556
3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
CID 80517756
5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
CID 102970723
5,6-diethyl-3-propoxypyridazine-4-carbothioamide
CID 80512775
5,6-diethyl-3-(4-iodophenoxy)pyridazine-4-carboxylic acid
CID 80515525

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid (CID 106206440) is 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid is CCc1nnc(OCCC2CCC2)c(C(=O)O)c1CC.
What is the InChIKey of 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
The InChIKey is XMZHUFCODHZBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-11-12(4-2)16-17-14(13(11)15(18)19)20-9-8-10-6-5-7-10/h10H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-5,6-diethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 106206440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).