methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate

C11H12N4O2 — CID 66455880

IUPACmethyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2cnc(C)c2C)n1
InChIInChI=1S/C11H12N4O2/c1-7-8(2)15(6-13-7)10-5-12-4-9(14-10)11(16)17-3/h4-6H,1-3H3
InChIKeyXHILANINJRXKPA-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.07
Rot. Bonds2

About methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate

methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate (PubChem CID 66455880) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
PubChem CID66455880
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namemethyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2cnc(C)c2C)n1
InChIInChI=1S/C11H12N4O2/c1-7-8(2)15(6-13-7)10-5-12-4-9(14-10)11(16)17-3/h4-6H,1-3H3
InChIKeyXHILANINJRXKPA-UHFFFAOYSA-N
XLogP1.07
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66458638
methyl 6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyrazine-2-carboxylate
CID 66456070
methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456269
methyl 6-(4-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456461
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid
CID 66457610
methyl 6-(2-carbamothioylpyrrol-1-yl)pyrazine-2-carboxylate
CID 114654360
methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
CID 66456212
methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate
CID 66458098
methyl 6-bromopyrazine-2-carboxylate
CID 52988070
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate
CID 66456799

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate (CID 66455880) is methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(-n2cnc(C)c2C)n1.
What is the InChIKey of methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is XHILANINJRXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-8(2)15(6-13-7)10-5-12-4-9(14-10)11(16)17-3/h4-6H,1-3H3.
What are the key properties of methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).