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

C8H8F3N3O2 — CID 66456625

IUPAC6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(CC(F)(F)F)c1cncc(C(=O)O)n1
InChIInChI=1S/C8H8F3N3O2/c1-14(4-8(9,10)11)6-3-12-2-5(13-6)7(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyQBKWVBDKYRIOQY-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.17
Rot. Bonds3

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

6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66456625) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
PubChem CID66456625
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(CC(F)(F)F)c1cncc(C(=O)O)n1
InChIInChI=1S/C8H8F3N3O2/c1-14(4-8(9,10)11)6-3-12-2-5(13-6)7(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyQBKWVBDKYRIOQY-UHFFFAOYSA-N
XLogP1.17
TPSA66.32 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (CID 66456625) is 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is CN(CC(F)(F)F)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is QBKWVBDKYRIOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14(4-8(9,10)11)6-3-12-2-5(13-6)7(15)16/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).