1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

C11H12F3N3 — CID 153470251

IUPAC1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1nc(C(F)(F)F)n2ccncc12
InChIInChI=1S/C11H12F3N3/c1-10(2,3)8-7-6-15-4-5-17(7)9(16-8)11(12,13)14/h4-6H,1-3H3
InChIKeyBBSULEZKKZZVBW-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.05
Rot. Bonds

About 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (PubChem CID 153470251) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
PubChem CID153470251
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1nc(C(F)(F)F)n2ccncc12
InChIInChI=1S/C11H12F3N3/c1-10(2,3)8-7-6-15-4-5-17(7)9(16-8)11(12,13)14/h4-6H,1-3H3
InChIKeyBBSULEZKKZZVBW-UHFFFAOYSA-N
XLogP3.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]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 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (CID 153470251) is 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is CC(C)(C)c1nc(C(F)(F)F)n2ccncc12.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The InChIKey is BBSULEZKKZZVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-10(2,3)8-7-6-15-4-5-17(7)9(16-8)11(12,13)14/h4-6H,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine has a molecular weight of 243.23 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 153470251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).