3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid

C11H14N2O3 — CID 106206427

IUPAC3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1OCCC1CCC1
InChIInChI=1S/C11H14N2O3/c14-11(15)9-4-6-12-13-10(9)16-7-5-8-2-1-3-8/h4,6,8H,1-3,5,7H2,(H,14,15)
InChIKeyWACHBBWCTMWWIW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.74
Rot. Bonds5

About 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid

3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid (PubChem CID 106206427) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
PubChem CID106206427
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1OCCC1CCC1
InChIInChI=1S/C11H14N2O3/c14-11(15)9-4-6-12-13-10(9)16-7-5-8-2-1-3-8/h4,6,8H,1-3,5,7H2,(H,14,15)
InChIKeyWACHBBWCTMWWIW-UHFFFAOYSA-N
XLogP1.74
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
CID 106201688
3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425
3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid
CID 114470975
4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
CID 106200426
3-prop-2-enoxypyridazine-4-carboxylic acid
CID 80517301
3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid
CID 80518091
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
CID 114157712
2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid
CID 106200392
2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid (CID 106206427) is 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1OCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid?
The InChIKey is WACHBBWCTMWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)9-4-6-12-13-10(9)16-7-5-8-2-1-3-8/h4,6,8H,1-3,5,7H2,(H,14,15).
What are the key properties of 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid?
3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 106206427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).