5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine

C11H8F3N3 — CID 20567072

IUPAC5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17)
InChIKeyKYZMABUPSVQWFX-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.74
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine

5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 20567072) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID20567072
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17)
InChIKeyKYZMABUPSVQWFX-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine 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-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 20567072) is 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine is Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is KYZMABUPSVQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 239.20 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 20567072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).