ethyl 4,6-diethoxypyridazine-3-carboxylate

C11H16N2O4 — CID 58661538

IUPACethyl 4,6-diethoxypyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(OCC)cc1OCC
InChIInChI=1S/C11H16N2O4/c1-4-15-8-7-9(16-5-2)12-13-10(8)11(14)17-6-3/h7H,4-6H2,1-3H3
InChIKeyGHBMFFGNQPUXTB-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.45
Rot. Bonds6

About ethyl 4,6-diethoxypyridazine-3-carboxylate

ethyl 4,6-diethoxypyridazine-3-carboxylate (PubChem CID 58661538) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 4,6-diethoxypyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-diethoxypyridazine-3-carboxylate
PubChem CID58661538
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 4,6-diethoxypyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(OCC)cc1OCC
InChIInChI=1S/C11H16N2O4/c1-4-15-8-7-9(16-5-2)12-13-10(8)11(14)17-6-3/h7H,4-6H2,1-3H3
InChIKeyGHBMFFGNQPUXTB-UHFFFAOYSA-N
XLogP1.45
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-ethoxy-6-prop-2-enylpyridazine-3-carboxylate
CID 67550010
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 4-ethoxytriazole-1-carboxylate
CID 134989947
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 5-(2-bromo-4,5-diethoxyphenyl)-2H-triazole-4-carboxylate
CID 169400645
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-diethoxypyridazine-3-carboxylate?
The IUPAC name of ethyl 4,6-diethoxypyridazine-3-carboxylate (CID 58661538) is ethyl 4,6-diethoxypyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4,6-diethoxypyridazine-3-carboxylate?
The canonical SMILES for ethyl 4,6-diethoxypyridazine-3-carboxylate is CCOC(=O)c1nnc(OCC)cc1OCC.
What is the InChIKey of ethyl 4,6-diethoxypyridazine-3-carboxylate?
The InChIKey is GHBMFFGNQPUXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-15-8-7-9(16-5-2)12-13-10(8)11(14)17-6-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 4,6-diethoxypyridazine-3-carboxylate?
ethyl 4,6-diethoxypyridazine-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-diethoxypyridazine-3-carboxylate is sourced from PubChem (CID 58661538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).