6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine

C10H10BrN3O — CID 79956193

IUPAC6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
SMILESC=CCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H10BrN3O/c1-2-3-6-15-10-9-12-4-5-14(9)7-8(11)13-10/h2,4-5,7H,1,3,6H2
InChIKeyCJSFGIBMKWYWTH-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.45
Rot. Bonds4

About 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine

6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine (PubChem CID 79956193) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
PubChem CID79956193
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
SMILESC=CCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H10BrN3O/c1-2-3-6-15-10-9-12-4-5-14(9)7-8(11)13-10/h2,4-5,7H,1,3,6H2
InChIKeyCJSFGIBMKWYWTH-UHFFFAOYSA-N
XLogP2.45
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine (CID 79956193) is 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine is C=CCCOc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine?
The InChIKey is CJSFGIBMKWYWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-2-3-6-15-10-9-12-4-5-14(9)7-8(11)13-10/h2,4-5,7H,1,3,6H2.
What are the key properties of 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine?
6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine has a molecular weight of 268.11 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79956193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).