5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid

C16H18N2O3 — CID 62701914

IUPAC5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid
SMILESCCCc1ccc(Oc2nnc(C)c(C)c2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-4-5-12-6-8-13(9-7-12)21-15-14(16(19)20)10(2)11(3)17-18-15/h6-9H,4-5H2,1-3H3,(H,19,20)
InChIKeyHLLHHCXHPUOYKX-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.54
Rot. Bonds5

About 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid

5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid (PubChem CID 62701914) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid
PubChem CID62701914
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid
SMILESCCCc1ccc(Oc2nnc(C)c(C)c2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-4-5-12-6-8-13(9-7-12)21-15-14(16(19)20)10(2)11(3)17-18-15/h6-9H,4-5H2,1-3H3,(H,19,20)
InChIKeyHLLHHCXHPUOYKX-UHFFFAOYSA-N
XLogP3.54
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid
CID 62702753
3-[4-(hydroxymethyl)phenoxy]-5,6-dimethylpyridazine-4-carbothioamide
CID 61229528
2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid
CID 115493466
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
CID 136924888
3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid
CID 62702092
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid
CID 81342258
5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid
CID 62703420
5,6-diethyl-3-(4-iodophenoxy)pyridazine-4-carboxylic acid
CID 80515525
3-(4-butylphenoxy)pyrazine-2-carboxylic acid
CID 115493465
6-(4-propylphenoxy)pyrazine-2-carboxylic acid
CID 66456710
5,6-dimethyl-3-(4-methylpentan-2-yloxy)pyridazine-4-carboxylic acid
CID 62701383

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid (CID 62701914) is 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid is CCCc1ccc(Oc2nnc(C)c(C)c2C(=O)O)cc1.
What is the InChIKey of 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid?
The InChIKey is HLLHHCXHPUOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-5-12-6-8-13(9-7-12)21-15-14(16(19)20)10(2)11(3)17-18-15/h6-9H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 62701914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).