7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C11H16F3N3 — CID 59539567

IUPAC7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H16F3N3/c1-10(2,3)17-5-4-16-6-8(11(12,13)14)15-9(16)7-17/h6H,4-5,7H2,1-3H3
InChIKeyTZHPEWYFYDKTEW-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.52
Rot. Bonds

About 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 59539567) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID59539567
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H16F3N3/c1-10(2,3)17-5-4-16-6-8(11(12,13)14)15-9(16)7-17/h6H,4-5,7H2,1-3H3
InChIKeyTZHPEWYFYDKTEW-UHFFFAOYSA-N
XLogP2.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 59539567) is 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC(C)(C)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is TZHPEWYFYDKTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-10(2,3)17-5-4-16-6-8(11(12,13)14)15-9(16)7-17/h6H,4-5,7H2,1-3H3.
What are the key properties of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 247.26 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 59539567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).