5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid

C13H16F3N3O3 — CID 68567970

IUPAC5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCCC2)c(OCC(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)7-22-11-10(17-6-9(19-11)12(20)21)18-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,17,18)(H,20,21)
InChIKeyLQCXGTGZLPMDND-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.86
Rot. Bonds5

About 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid

5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid (PubChem CID 68567970) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid
PubChem CID68567970
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCCC2)c(OCC(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)7-22-11-10(17-6-9(19-11)12(20)21)18-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,17,18)(H,20,21)
InChIKeyLQCXGTGZLPMDND-UHFFFAOYSA-N
XLogP2.86
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid (CID 68567970) is 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CCCCC2)c(OCC(F)(F)F)n1.
What is the InChIKey of 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid?
The InChIKey is LQCXGTGZLPMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c14-13(15,16)7-22-11-10(17-6-9(19-11)12(20)21)18-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,17,18)(H,20,21).
What are the key properties of 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid?
5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid has a molecular weight of 319.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 68567970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).