6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine

C11H12BrN3O2 — CID 79955580

IUPAC6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine
SMILESBrc1cn2ccnc2c(OC2CCOCC2)n1
InChIInChI=1S/C11H12BrN3O2/c12-9-7-15-4-3-13-10(15)11(14-9)17-8-1-5-16-6-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyMFEZSQSYYFFWQJ-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.05
Rot. Bonds2

About 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine

6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine (PubChem CID 79955580) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine
PubChem CID79955580
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine
SMILESBrc1cn2ccnc2c(OC2CCOCC2)n1
InChIInChI=1S/C11H12BrN3O2/c12-9-7-15-4-3-13-10(15)11(14-9)17-8-1-5-16-6-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyMFEZSQSYYFFWQJ-UHFFFAOYSA-N
XLogP2.05
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine (CID 79955580) is 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine is Brc1cn2ccnc2c(OC2CCOCC2)n1.
What is the InChIKey of 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine?
The InChIKey is MFEZSQSYYFFWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-9-7-15-4-3-13-10(15)11(14-9)17-8-1-5-16-6-2-8/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine has a molecular weight of 298.14 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(oxan-4-yloxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).