2-pentan-2-yl-5-(trifluoromethyl)pyrazine

C10H13F3N2 — CID 137409409

IUPAC2-pentan-2-yl-5-(trifluoromethyl)pyrazine
SMILESCCCC(C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2/c1-3-4-7(2)8-5-15-9(6-14-8)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyDYNDJQIOWYGMER-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.40
Rot. Bonds3

About 2-pentan-2-yl-5-(trifluoromethyl)pyrazine

2-pentan-2-yl-5-(trifluoromethyl)pyrazine (PubChem CID 137409409) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-pentan-2-yl-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-pentan-2-yl-5-(trifluoromethyl)pyrazine
PubChem CID137409409
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-pentan-2-yl-5-(trifluoromethyl)pyrazine
SMILESCCCC(C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2/c1-3-4-7(2)8-5-15-9(6-14-8)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyDYNDJQIOWYGMER-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-pentan-2-yl-5-(trifluoromethyl)pyrazine 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 2-pentan-2-yl-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-pentan-2-yl-5-(trifluoromethyl)pyrazine (CID 137409409) is 2-pentan-2-yl-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-pentan-2-yl-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-pentan-2-yl-5-(trifluoromethyl)pyrazine is CCCC(C)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-pentan-2-yl-5-(trifluoromethyl)pyrazine?
The InChIKey is DYNDJQIOWYGMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-3-4-7(2)8-5-15-9(6-14-8)10(11,12)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-pentan-2-yl-5-(trifluoromethyl)pyrazine?
2-pentan-2-yl-5-(trifluoromethyl)pyrazine has a molecular weight of 218.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 137409409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).