3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C8H8F3N3O2 — CID 90375941

IUPAC3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCc1nc(OCC(F)(F)F)cnc1C(N)=O
InChIInChI=1S/C8H8F3N3O2/c1-4-6(7(12)15)13-2-5(14-4)16-3-8(9,10)11/h2H,3H2,1H3,(H2,12,15)
InChIKeyVVHWHOGHJOPALO-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.83
Rot. Bonds3

About 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 90375941) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID90375941
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCc1nc(OCC(F)(F)F)cnc1C(N)=O
InChIInChI=1S/C8H8F3N3O2/c1-4-6(7(12)15)13-2-5(14-4)16-3-8(9,10)11/h2H,3H2,1H3,(H2,12,15)
InChIKeyVVHWHOGHJOPALO-UHFFFAOYSA-N
XLogP0.83
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 90375941) is 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is Cc1nc(OCC(F)(F)F)cnc1C(N)=O.
What is the InChIKey of 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is VVHWHOGHJOPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-4-6(7(12)15)13-2-5(14-4)16-3-8(9,10)11/h2H,3H2,1H3,(H2,12,15).
What are the key properties of 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 90375941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).