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

C13H16F3N3O2 — CID 122054176

IUPAC5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-4-2-1-3-8(9)5-18-11-7-17-10(6-19-11)12(20)21/h6-9H,1-5H2,(H,18,19)(H,20,21)
InChIKeyXKKPASIRVHNJFX-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.96
Rot. Bonds4

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

5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054176) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID122054176
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-4-2-1-3-8(9)5-18-11-7-17-10(6-19-11)12(20)21/h6-9H,1-5H2,(H,18,19)(H,20,21)
InChIKeyXKKPASIRVHNJFX-UHFFFAOYSA-N
XLogP2.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid (CID 122054176) is 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCC2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is XKKPASIRVHNJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)9-4-2-1-3-8(9)5-18-11-7-17-10(6-19-11)12(20)21/h6-9H,1-5H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).