dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate

C10H12N2O4 — CID 10878792

IUPACdimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
SMILESCOC(=O)c1c(C)nnc(C)c1C(=O)OC
InChIInChI=1S/C10H12N2O4/c1-5-7(9(13)15-3)8(10(14)16-4)6(2)12-11-5/h1-4H3
InChIKeyZFIUXYPMAVWJQV-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.67
Rot. Bonds2

About dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate

dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate (PubChem CID 10878792) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
PubChem CID10878792
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namedimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
SMILESCOC(=O)c1c(C)nnc(C)c1C(=O)OC
InChIInChI=1S/C10H12N2O4/c1-5-7(9(13)15-3)8(10(14)16-4)6(2)12-11-5/h1-4H3
InChIKeyZFIUXYPMAVWJQV-UHFFFAOYSA-N
XLogP0.67
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
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4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
CID 10657654
ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
CID 15307848
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 5-bromo-3-methyl-1,2-oxazole-4-carboxylate
CID 84685263
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 4-tert-butyl-2-methylpyridine-3-carboxylate
CID 118506573
methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
CID 167762348
4-methoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 5325770
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate (CID 10878792) is dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate is COC(=O)c1c(C)nnc(C)c1C(=O)OC.
What is the InChIKey of dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate?
The InChIKey is ZFIUXYPMAVWJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-7(9(13)15-3)8(10(14)16-4)6(2)12-11-5/h1-4H3.
What are the key properties of dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate?
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate is sourced from PubChem (CID 10878792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).