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

C9H8BrF3N4O — CID 82711111

IUPAC1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1cnc2cnc(Br)cn12
InChIInChI=1S/C9H8BrF3N4O/c10-7-4-17-6(1-15-8(17)3-14-7)2-16-18-5-9(11,12)13/h1,3-4,16H,2,5H2
InChIKeyGAORMNRBRXCEJK-UHFFFAOYSA-N
MW325.09 g/mol
LogP2.08
Rot. Bonds4

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

1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82711111) has the molecular formula C9H8BrF3N4O and a molecular weight of 325.09 g/mol. Its IUPAC name is 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82711111
Molecular FormulaC9H8BrF3N4O
Molecular Weight325.09 g/mol
Exact Mass323.98
IUPAC Name1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1cnc2cnc(Br)cn12
InChIInChI=1S/C9H8BrF3N4O/c10-7-4-17-6(1-15-8(17)3-14-7)2-16-18-5-9(11,12)13/h1,3-4,16H,2,5H2
InChIKeyGAORMNRBRXCEJK-UHFFFAOYSA-N
XLogP2.08
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.09
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82711111) is 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine is FC(F)(F)CONCc1cnc2cnc(Br)cn12.
What is the InChIKey of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is GAORMNRBRXCEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N4O/c10-7-4-17-6(1-15-8(17)3-14-7)2-16-18-5-9(11,12)13/h1,3-4,16H,2,5H2.
What are the key properties of 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 325.09 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82711111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).