tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate

C12H16F3N3O2 — CID 90938529

IUPACtert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCc2c(C(F)(F)F)ncn21
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)8-5-16-4-7-9(12(13,14)15)17-6-18(7)8/h6,8,16H,4-5H2,1-3H3
InChIKeyRFIZOMPBIPEJJV-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.89
Rot. Bonds1

About tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate

tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate (PubChem CID 90938529) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate
PubChem CID90938529
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nametert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCc2c(C(F)(F)F)ncn21
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)8-5-16-4-7-9(12(13,14)15)17-6-18(7)8/h6,8,16H,4-5H2,1-3H3
InChIKeyRFIZOMPBIPEJJV-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate (CID 90938529) is tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)C1CNCc2c(C(F)(F)F)ncn21.
What is the InChIKey of tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is RFIZOMPBIPEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)8-5-16-4-7-9(12(13,14)15)17-6-18(7)8/h6,8,16H,4-5H2,1-3H3.
What are the key properties of tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 291.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 90938529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).