5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid

C12H14F3N3O2 — CID 166255899

IUPAC5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-16-9(5-17-10)11(19)20/h5-8H,1-4H2,(H,17,18)(H,19,20)
InChIKeyGRSQQCSKUVJHAR-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.71
Rot. Bonds3

About 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid

5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid (PubChem CID 166255899) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid
PubChem CID166255899
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-16-9(5-17-10)11(19)20/h5-8H,1-4H2,(H,17,18)(H,19,20)
InChIKeyGRSQQCSKUVJHAR-UHFFFAOYSA-N
XLogP2.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid (CID 166255899) is 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is GRSQQCSKUVJHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-16-9(5-17-10)11(19)20/h5-8H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166255899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).