N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H12BrF3N4O — CID 79167023

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C11H12BrF3N4O/c12-9-6-19-8(4-18-10(19)5-17-9)3-16-1-2-20-7-11(13,14)15/h4-6,16H,1-3,7H2
InChIKeyFUFWRSPIYCZQFE-UHFFFAOYSA-N
MW353.14 g/mol
LogP2.16
Rot. Bonds6

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 79167023) has the molecular formula C11H12BrF3N4O and a molecular weight of 353.14 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID79167023
Molecular FormulaC11H12BrF3N4O
Molecular Weight353.14 g/mol
Exact Mass352.01
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C11H12BrF3N4O/c12-9-6-19-8(4-18-10(19)5-17-9)3-16-1-2-20-7-11(13,14)15/h4-6,16H,1-3,7H2
InChIKeyFUFWRSPIYCZQFE-UHFFFAOYSA-N
XLogP2.16
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 52.16
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 N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 79167023) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is FUFWRSPIYCZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N4O/c12-9-6-19-8(4-18-10(19)5-17-9)3-16-1-2-20-7-11(13,14)15/h4-6,16H,1-3,7H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 353.14 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 79167023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).