5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid

C14H16N2O4 — CID 80517098

IUPAC5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
SMILESCCc1nnc(OCc2ccco2)c(C(=O)O)c1CC
InChIInChI=1S/C14H16N2O4/c1-3-10-11(4-2)15-16-13(12(10)14(17)18)20-8-9-6-5-7-19-9/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVUQPIRBZFMYIBC-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.47
Rot. Bonds6

About 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid

5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid (PubChem CID 80517098) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
PubChem CID80517098
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
SMILESCCc1nnc(OCc2ccco2)c(C(=O)O)c1CC
InChIInChI=1S/C14H16N2O4/c1-3-10-11(4-2)15-16-13(12(10)14(17)18)20-8-9-6-5-7-19-9/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVUQPIRBZFMYIBC-UHFFFAOYSA-N
XLogP2.47
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
CID 80517770
5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 80516258
5,6-diethyl-3-(3-hydroxypropoxy)pyridazine-4-carboxylic acid
CID 80517318
2-(furan-2-ylmethoxy)benzoic acid
CID 28604768
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648
triethyl(furan-2-ylmethoxy)silane
CID 11435807
4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
CID 104842494
3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
CID 63183787
2-(ethylperoxymethyl)furan
CID 175094388
4-(furan-2-ylmethoxy)-N,5-dimethylpyrimidin-2-amine
CID 80859183
1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone
CID 83120059
2-(furan-2-ylmethoxy)pyrimidine
CID 125483373

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid (CID 80517098) is 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid is CCc1nnc(OCc2ccco2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid?
The InChIKey is VUQPIRBZFMYIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-10-11(4-2)15-16-13(12(10)14(17)18)20-8-9-6-5-7-19-9/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).