methyl 3,6-dimethylpyrazine-2-carboxylate

C8H10N2O2 — CID 14715226

IUPACmethyl 3,6-dimethylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C)cnc1C
InChIInChI=1S/C8H10N2O2/c1-5-4-9-6(2)7(10-5)8(11)12-3/h4H,1-3H3
InChIKeyNHHGPPUQNKMNAS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.88
Rot. Bonds1

About methyl 3,6-dimethylpyrazine-2-carboxylate

methyl 3,6-dimethylpyrazine-2-carboxylate (PubChem CID 14715226) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 3,6-dimethylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,6-dimethylpyrazine-2-carboxylate
PubChem CID14715226
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 3,6-dimethylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C)cnc1C
InChIInChI=1S/C8H10N2O2/c1-5-4-9-6(2)7(10-5)8(11)12-3/h4H,1-3H3
InChIKeyNHHGPPUQNKMNAS-UHFFFAOYSA-N
XLogP0.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,6-dimethylpyrazine-2-carboxylate?
The IUPAC name of methyl 3,6-dimethylpyrazine-2-carboxylate (CID 14715226) is methyl 3,6-dimethylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3,6-dimethylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3,6-dimethylpyrazine-2-carboxylate is COC(=O)c1nc(C)cnc1C.
What is the InChIKey of methyl 3,6-dimethylpyrazine-2-carboxylate?
The InChIKey is NHHGPPUQNKMNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-4-9-6(2)7(10-5)8(11)12-3/h4H,1-3H3.
What are the key properties of methyl 3,6-dimethylpyrazine-2-carboxylate?
methyl 3,6-dimethylpyrazine-2-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6-dimethylpyrazine-2-carboxylate is sourced from PubChem (CID 14715226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).