4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate

C10H12N2O5 — CID 10657654

IUPAC4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
SMILESCCOC(=O)c1c(C)n[nH]c(=O)c1C(=O)OC
InChIInChI=1S/C10H12N2O5/c1-4-17-10(15)6-5(2)11-12-8(13)7(6)9(14)16-3/h4H2,1-3H3,(H,12,13)
InChIKeyBINMAXUARJDMGE-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.04
Rot. Bonds3

About 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate

4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate (PubChem CID 10657654) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
PubChem CID10657654
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
SMILESCCOC(=O)c1c(C)n[nH]c(=O)c1C(=O)OC
InChIInChI=1S/C10H12N2O5/c1-4-17-10(15)6-5(2)11-12-8(13)7(6)9(14)16-3/h4H2,1-3H3,(H,12,13)
InChIKeyBINMAXUARJDMGE-UHFFFAOYSA-N
XLogP0.04
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
ethyl 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylate
CID 151897567
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
CID 15307848
ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate
CID 102534352
6-[2-carboxy-3-ethoxycarbonyl-4,5-bis(methoxycarbonyl)-6-(2,3,4,5,6-pentacarboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzene-1,2,3,4,5-pentacarboxylic acid
CID 174945648
ethyl 3,5-diamino-1H-pyrazole-4-carboxylate
CID 4126248
ethyl 6-oxo-4-propan-2-yl-1H-pyridazine-5-carboxylate
CID 54528927
ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
CID 11389644
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
4-ethoxycarbonyl-5-methyl-1H-pyrazole-3-sulfinic acid
CID 165455578
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate?
The IUPAC name of 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate (CID 10657654) is 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate?
The canonical SMILES for 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate is CCOC(=O)c1c(C)n[nH]c(=O)c1C(=O)OC.
What is the InChIKey of 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate?
The InChIKey is BINMAXUARJDMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-4-17-10(15)6-5(2)11-12-8(13)7(6)9(14)16-3/h4H2,1-3H3,(H,12,13).
What are the key properties of 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate?
4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate has a molecular weight of 240.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate is sourced from PubChem (CID 10657654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).