methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate

C9H10F3N3O2 — CID 66456426

IUPACmethyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c1-15(5-9(10,11)12)7-4-13-3-6(14-7)8(16)17-2/h3-4H,5H2,1-2H3
InChIKeyVZQSJFHWVCSZHV-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.26
Rot. Bonds3

About methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate

methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate (PubChem CID 66456426) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
PubChem CID66456426
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Namemethyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c1-15(5-9(10,11)12)7-4-13-3-6(14-7)8(16)17-2/h3-4H,5H2,1-2H3
InChIKeyVZQSJFHWVCSZHV-UHFFFAOYSA-N
XLogP1.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate (CID 66456426) is methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)CC(F)(F)F)n1.
What is the InChIKey of methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The InChIKey is VZQSJFHWVCSZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-15(5-9(10,11)12)7-4-13-3-6(14-7)8(16)17-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66456426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).