methyl 1-methyl-2H-pyrazine-3-carboxylate

C7H10N2O2 — CID 123368742

IUPACmethyl 1-methyl-2H-pyrazine-3-carboxylate
SMILESCOC(=O)C1=NC=CN(C)C1
InChIInChI=1S/C7H10N2O2/c1-9-4-3-8-6(5-9)7(10)11-2/h3-4H,5H2,1-2H3
InChIKeyGICFQZIDMKQUSV-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.02
Rot. Bonds1

About methyl 1-methyl-2H-pyrazine-3-carboxylate

methyl 1-methyl-2H-pyrazine-3-carboxylate (PubChem CID 123368742) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 1-methyl-2H-pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2H-pyrazine-3-carboxylate
PubChem CID123368742
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 1-methyl-2H-pyrazine-3-carboxylate
SMILESCOC(=O)C1=NC=CN(C)C1
InChIInChI=1S/C7H10N2O2/c1-9-4-3-8-6(5-9)7(10)11-2/h3-4H,5H2,1-2H3
InChIKeyGICFQZIDMKQUSV-UHFFFAOYSA-N
XLogP0.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2H-pyrazine-3-carboxylate?
The IUPAC name of methyl 1-methyl-2H-pyrazine-3-carboxylate (CID 123368742) is methyl 1-methyl-2H-pyrazine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-2H-pyrazine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-2H-pyrazine-3-carboxylate is COC(=O)C1=NC=CN(C)C1.
What is the InChIKey of methyl 1-methyl-2H-pyrazine-3-carboxylate?
The InChIKey is GICFQZIDMKQUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-9-4-3-8-6(5-9)7(10)11-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 1-methyl-2H-pyrazine-3-carboxylate?
methyl 1-methyl-2H-pyrazine-3-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2H-pyrazine-3-carboxylate is sourced from PubChem (CID 123368742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).