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

C7H7BrF3N3 — CID 58417724

IUPAC3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1nc2n(c1Br)CCNC2
InChIInChI=1S/C7H7BrF3N3/c8-6-5(7(9,10)11)13-4-3-12-1-2-14(4)6/h12H,1-3H2
InChIKeyNCSCRMGIECHNRL-UHFFFAOYSA-N
MW270.05 g/mol
LogP1.77
Rot. Bonds

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

3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 58417724) has the molecular formula C7H7BrF3N3 and a molecular weight of 270.05 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID58417724
Molecular FormulaC7H7BrF3N3
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC Name3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1nc2n(c1Br)CCNC2
InChIInChI=1S/C7H7BrF3N3/c8-6-5(7(9,10)11)13-4-3-12-1-2-14(4)6/h12H,1-3H2
InChIKeyNCSCRMGIECHNRL-UHFFFAOYSA-N
XLogP1.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 51.77
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
3-bromo-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine hydrochloride
CID 137963928
3-Fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 69381635
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-amine
CID 74892051
1-Bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 76849733
1-Bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine hydrochloride
CID 86685644
CID 88553464
CID 88553464
3-Bromo-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 153621137
4-Bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole
CID 178121855
1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 178121964
3-Bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 77134404
(5R,8R)-3-bromo-5,8-dimethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 124671790

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 58417724) is 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is FC(F)(F)c1nc2n(c1Br)CCNC2.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is NCSCRMGIECHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3/c8-6-5(7(9,10)11)13-4-3-12-1-2-14(4)6/h12H,1-3H2.
What are the key properties of 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 270.05 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 58417724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).