2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone

C8H7BrN4O — CID 84708367

IUPAC2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone
SMILESNCC(=O)c1cn2cc(Br)ncc2n1
InChIInChI=1S/C8H7BrN4O/c9-7-4-13-3-5(6(14)1-10)12-8(13)2-11-7/h2-4H,1,10H2
InChIKeyGFDCAMVQWUSIEC-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone

2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 84708367) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone
PubChem CID84708367
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone
SMILESNCC(=O)c1cn2cc(Br)ncc2n1
InChIInChI=1S/C8H7BrN4O/c9-7-4-13-3-5(6(14)1-10)12-8(13)2-11-7/h2-4H,1,10H2
InChIKeyGFDCAMVQWUSIEC-UHFFFAOYSA-N
XLogP0.63
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone (CID 84708367) is 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone is NCC(=O)c1cn2cc(Br)ncc2n1.
What is the InChIKey of 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is GFDCAMVQWUSIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-7-4-13-3-5(6(14)1-10)12-8(13)2-11-7/h2-4H,1,10H2.
What are the key properties of 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone?
2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 255.07 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 84708367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).