dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate

C10H12N2O4 — CID 12751593

IUPACdimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate
SMILESCOC(=O)c1nc(C)c(C)nc1C(=O)OC
InChIInChI=1S/C10H12N2O4/c1-5-6(2)12-8(10(14)16-4)7(11-5)9(13)15-3/h1-4H3
InChIKeyNZEBZQIZRBTCBA-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.67
Rot. Bonds2

About dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate

dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate (PubChem CID 12751593) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate
PubChem CID12751593
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namedimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate
SMILESCOC(=O)c1nc(C)c(C)nc1C(=O)OC
InChIInChI=1S/C10H12N2O4/c1-5-6(2)12-8(10(14)16-4)7(11-5)9(13)15-3/h1-4H3
InChIKeyNZEBZQIZRBTCBA-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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Frequently Asked Questions

What is the IUPAC name of dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate (CID 12751593) is dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate is COC(=O)c1nc(C)c(C)nc1C(=O)OC.
What is the InChIKey of dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate?
The InChIKey is NZEBZQIZRBTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-6(2)12-8(10(14)16-4)7(11-5)9(13)15-3/h1-4H3.
What are the key properties of dimethyl 5,6-dimethylpyrazine-2,3-dicarboxylate?
dimethyl 5,6-dimethylpyrazine-2,3-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 5,6-dimethylpyrazine-2,3-dicarboxylate is sourced from PubChem (CID 12751593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).