1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone

C8H6BrN3O2 — CID 118441490

IUPAC1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone
SMILESO=C(CO)c1cn2c(Br)cnc2cn1
InChIInChI=1S/C8H6BrN3O2/c9-7-1-11-8-2-10-5(3-12(7)8)6(14)4-13/h1-3,13H,4H2
InChIKeyOEUVINJPZLXTDV-UHFFFAOYSA-N
MW256.06 g/mol
LogP0.67
Rot. Bonds2

About 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone

1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone (PubChem CID 118441490) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone
PubChem CID118441490
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone
SMILESO=C(CO)c1cn2c(Br)cnc2cn1
InChIInChI=1S/C8H6BrN3O2/c9-7-1-11-8-2-10-5(3-12(7)8)6(14)4-13/h1-3,13H,4H2
InChIKeyOEUVINJPZLXTDV-UHFFFAOYSA-N
XLogP0.67
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone 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-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone (CID 118441490) is 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone is O=C(CO)c1cn2c(Br)cnc2cn1.
What is the InChIKey of 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone?
The InChIKey is OEUVINJPZLXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-7-1-11-8-2-10-5(3-12(7)8)6(14)4-13/h1-3,13H,4H2.
What are the key properties of 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone?
1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone has a molecular weight of 256.06 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone is sourced from PubChem (CID 118441490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).