8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine

C8H10BrN3 — CID 167084421

IUPAC8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine
SMILESCC1=CN2C(C)=CNC2C(Br)=N1
InChIInChI=1S/C8H10BrN3/c1-5-4-12-6(2)3-10-8(12)7(9)11-5/h3-4,8,10H,1-2H3
InChIKeyMABUNSFRQYVZEJ-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.75
Rot. Bonds

About 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine

8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine (PubChem CID 167084421) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine
PubChem CID167084421
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine
SMILESCC1=CN2C(C)=CNC2C(Br)=N1
InChIInChI=1S/C8H10BrN3/c1-5-4-12-6(2)3-10-8(12)7(9)11-5/h3-4,8,10H,1-2H3
InChIKeyMABUNSFRQYVZEJ-UHFFFAOYSA-N
XLogP1.75
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine?
The IUPAC name of 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine (CID 167084421) is 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine is CC1=CN2C(C)=CNC2C(Br)=N1.
What is the InChIKey of 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine?
The InChIKey is MABUNSFRQYVZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-5-4-12-6(2)3-10-8(12)7(9)11-5/h3-4,8,10H,1-2H3.
What are the key properties of 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine?
8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine has a molecular weight of 228.09 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 167084421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).