6-bromo-8-pentoxyimidazo[1,2-a]pyrazine

C11H14BrN3O — CID 79955209

IUPAC6-bromo-8-pentoxyimidazo[1,2-a]pyrazine
SMILESCCCCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H14BrN3O/c1-2-3-4-7-16-11-10-13-5-6-15(10)8-9(12)14-11/h5-6,8H,2-4,7H2,1H3
InChIKeyMYJLLFFIWRODDW-UHFFFAOYSA-N
MW284.16 g/mol
LogP3.06
Rot. Bonds5

About 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine

6-bromo-8-pentoxyimidazo[1,2-a]pyrazine (PubChem CID 79955209) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-pentoxyimidazo[1,2-a]pyrazine
PubChem CID79955209
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name6-bromo-8-pentoxyimidazo[1,2-a]pyrazine
SMILESCCCCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H14BrN3O/c1-2-3-4-7-16-11-10-13-5-6-15(10)8-9(12)14-11/h5-6,8H,2-4,7H2,1H3
InChIKeyMYJLLFFIWRODDW-UHFFFAOYSA-N
XLogP3.06
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine (CID 79955209) is 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine is CCCCCOc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine?
The InChIKey is MYJLLFFIWRODDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-2-3-4-7-16-11-10-13-5-6-15(10)8-9(12)14-11/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine?
6-bromo-8-pentoxyimidazo[1,2-a]pyrazine has a molecular weight of 284.16 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-pentoxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).