N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine

C9H12F3N3 — CID 138649119

IUPACN-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)(C)Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-8(2,3)15-7-5-13-4-6(14-7)9(10,11)12/h4-5H,1-3H3,(H,14,15)
InChIKeyOPKWTEWYPINEPP-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.71
Rot. Bonds1

About N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine

N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 138649119) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine
PubChem CID138649119
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)(C)Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-8(2,3)15-7-5-13-4-6(14-7)9(10,11)12/h4-5H,1-3H3,(H,14,15)
InChIKeyOPKWTEWYPINEPP-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-6-(trifluoromethyl)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 N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine (CID 138649119) is N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine is CC(C)(C)Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is OPKWTEWYPINEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-8(2,3)15-7-5-13-4-6(14-7)9(10,11)12/h4-5H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine?
N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 219.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 138649119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).