2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

C8H10BrN3O — CID 63680123

IUPAC2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESO=C(CBr)N1CCn2ccnc2C1
InChIInChI=1S/C8H10BrN3O/c9-5-8(13)12-4-3-11-2-1-10-7(11)6-12/h1-2H,3-6H2
InChIKeyDBALMIHQYBHRSJ-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.62
Rot. Bonds1

About 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (PubChem CID 63680123) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
PubChem CID63680123
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESO=C(CBr)N1CCn2ccnc2C1
InChIInChI=1S/C8H10BrN3O/c9-5-8(13)12-4-3-11-2-1-10-7(11)6-12/h1-2H,3-6H2
InChIKeyDBALMIHQYBHRSJ-UHFFFAOYSA-N
XLogP0.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile
CID 63025576
6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one
CID 63027109
2-(cyclopentylamino)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025397
2-(4-aminocyclohexyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63020386
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
CID 67356179
N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115627322
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide
CID 63612528
N-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115642001
2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 67154587
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(2,6-dihydroxyphenyl)methanone
CID 103890482

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (CID 63680123) is 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is O=C(CBr)N1CCn2ccnc2C1.
What is the InChIKey of 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The InChIKey is DBALMIHQYBHRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-5-8(13)12-4-3-11-2-1-10-7(11)6-12/h1-2H,3-6H2.
What are the key properties of 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone has a molecular weight of 244.09 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 63680123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).