(5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C9H11BrF3N3 — CID 124671791

IUPAC(5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESC[C@H]1NC[C@H](C)n2c1nc(C(F)(F)F)c2Br
InChIInChI=1S/C9H11BrF3N3/c1-4-3-14-5(2)8-15-6(9(11,12)13)7(10)16(4)8/h4-5,14H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyFLNZXLXGGKVHPD-CRCLSJGQSA-N
MW298.11 g/mol
LogP2.89
Rot. Bonds

About (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

(5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 124671791) has the molecular formula C9H11BrF3N3 and a molecular weight of 298.11 g/mol. Its IUPAC name is (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID124671791
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name(5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESC[C@H]1NC[C@H](C)n2c1nc(C(F)(F)F)c2Br
InChIInChI=1S/C9H11BrF3N3/c1-4-3-14-5(2)8-15-6(9(11,12)13)7(10)16(4)8/h4-5,14H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyFLNZXLXGGKVHPD-CRCLSJGQSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 23084290
2,3-dimethyl-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 50987626
3-bromo-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine hydrochloride
CID 137963928
3-Bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 58417724
3-Fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 69381635
1-Bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 76849733
Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro-1-methyl-3-(trifluoromethyl)-
CID 76849746
1-Bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine hydrochloride
CID 86685644
3-Ethyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 129972703
3-Methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 129972797
5-Bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole
CID 156675346
2-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 169032819

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 124671791) is (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is C[C@H]1NC[C@H](C)n2c1nc(C(F)(F)F)c2Br.
What is the InChIKey of (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is FLNZXLXGGKVHPD-CRCLSJGQSA-N. The full InChI is InChI=1S/C9H11BrF3N3/c1-4-3-14-5(2)8-15-6(9(11,12)13)7(10)16(4)8/h4-5,14H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
(5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 298.11 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 124671791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).