6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine

C10H10BrF3N4O — CID 79947467

IUPAC6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)COCCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H10BrF3N4O/c11-7-5-18-3-1-16-9(18)8(17-7)15-2-4-19-6-10(12,13)14/h1,3,5H,2,4,6H2,(H,15,17)
InChIKeyNERHRWTXVYNPER-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.48
Rot. Bonds5

About 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79947467) has the molecular formula C10H10BrF3N4O and a molecular weight of 339.12 g/mol. Its IUPAC name is 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID79947467
Molecular FormulaC10H10BrF3N4O
Molecular Weight339.12 g/mol
Exact Mass338.00
IUPAC Name6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)COCCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H10BrF3N4O/c11-7-5-18-3-1-16-9(18)8(17-7)15-2-4-19-6-10(12,13)14/h1,3,5H,2,4,6H2,(H,15,17)
InChIKeyNERHRWTXVYNPER-UHFFFAOYSA-N
XLogP2.48
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine (CID 79947467) is 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine is FC(F)(F)COCCNc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is NERHRWTXVYNPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N4O/c11-7-5-18-3-1-16-9(18)8(17-7)15-2-4-19-6-10(12,13)14/h1,3,5H,2,4,6H2,(H,15,17).
What are the key properties of 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 339.12 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79947467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).