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

C9H11BrF3N3 — CID 124671790

IUPAC(5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESC[C@@H]1CN[C@H](C)c2nc(C(F)(F)F)c(Br)n21
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-/m1/s1
InChIKeyFLNZXLXGGKVHPD-RFZPGFLSSA-N
MW298.11 g/mol
LogP2.89
Rot. Bonds

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

(5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 124671790) has the molecular formula C9H11BrF3N3 and a molecular weight of 298.11 g/mol. Its IUPAC name is (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID124671790
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name(5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESC[C@@H]1CN[C@H](C)c2nc(C(F)(F)F)c(Br)n21
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-/m1/s1
InChIKeyFLNZXLXGGKVHPD-RFZPGFLSSA-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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Frequently Asked Questions

What is the IUPAC name of (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 124671790) is (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is C[C@@H]1CN[C@H](C)c2nc(C(F)(F)F)c(Br)n21.
What is the InChIKey of (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is FLNZXLXGGKVHPD-RFZPGFLSSA-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-/m1/s1.
What are the key properties of (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
(5R,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 (5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 124671790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).