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

C15H24N2O4 — CID 80515523

IUPAC3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCCCOCCOc1nnc(CC)c(CC)c1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-4-7-8-20-9-10-21-14-13(15(18)19)11(5-2)12(6-3)16-17-14/h4-10H2,1-3H3,(H,18,19)
InChIKeyVFEMBVCDJHUANN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.50
Rot. Bonds10

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

3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid (PubChem CID 80515523) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid
PubChem CID80515523
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCCCOCCOc1nnc(CC)c(CC)c1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-4-7-8-20-9-10-21-14-13(15(18)19)11(5-2)12(6-3)16-17-14/h4-10H2,1-3H3,(H,18,19)
InChIKeyVFEMBVCDJHUANN-UHFFFAOYSA-N
XLogP2.50
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-3-(3-hydroxypropoxy)pyridazine-4-carboxylic acid
CID 80517318
[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
CID 104559843
5,6-diethyl-3-propoxypyridazine-4-carbothioamide
CID 80512775
5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
CID 80517098
[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097023
5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid
CID 80517696
3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid
CID 118642386
5,6-diethyl-3-(4-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboxylic acid
CID 80518180
4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
CID 63867559
acetic acid;1-butoxybutane
CID 22256220
3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
CID 114541269
5,6-diethyl-3-(3-iodophenoxy)pyridazine-4-carboxylic acid
CID 80515807

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid (CID 80515523) is 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid is CCCCOCCOc1nnc(CC)c(CC)c1C(=O)O.
What is the InChIKey of 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
The InChIKey is VFEMBVCDJHUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-7-8-20-9-10-21-14-13(15(18)19)11(5-2)12(6-3)16-17-14/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid?
3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 80515523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).