5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid

C15H24N2O4 — CID 106450322

IUPAC5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid
SMILESCCc1nnc(OCCOCC(C)C)c(C(=O)O)c1CC
InChIInChI=1S/C15H24N2O4/c1-5-11-12(6-2)16-17-14(13(11)15(18)19)21-8-7-20-9-10(3)4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeySYFCMHMNWSPMGC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.35
Rot. Bonds9

About 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid

5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid (PubChem CID 106450322) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid
PubChem CID106450322
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid
SMILESCCc1nnc(OCCOCC(C)C)c(C(=O)O)c1CC
InChIInChI=1S/C15H24N2O4/c1-5-11-12(6-2)16-17-14(13(11)15(18)19)21-8-7-20-9-10(3)4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeySYFCMHMNWSPMGC-UHFFFAOYSA-N
XLogP2.35
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid (CID 106450322) is 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid is CCc1nnc(OCCOCC(C)C)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid?
The InChIKey is SYFCMHMNWSPMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-11-12(6-2)16-17-14(13(11)15(18)19)21-8-7-20-9-10(3)4/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid?
5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[2-(2-methylpropoxy)ethoxy]pyridazine-4-carboxylic acid is sourced from PubChem (CID 106450322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).