5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one

C10H9BrN2O — CID 162412628

IUPAC5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4H,5-6H2,(H,13,14)
InChIKeyOEIULILOQZJMAG-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.37
Rot. Bonds1

About 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one

5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 162412628) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID162412628
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4H,5-6H2,(H,13,14)
InChIKeyOEIULILOQZJMAG-UHFFFAOYSA-N
XLogP1.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
2-(4-bromophenyl)-N-cyclohexylacetamide
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CID 2915482
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 797921
3-(4-Bromophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
CID 16193730
2-(4-bromophenyl)-N-cyclopentylacetamide
CID 875826
2-(4-bromophenyl)-N-butylacetamide
CID 1728614
3-(4-Bromophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 9550806
2-(4-bromophenyl)-N-(2-phenylethyl)acetamide
CID 670095
2-(4-bromophenyl)-N-hexylacetamide
CID 3140494
2-(4-bromophenyl)-N-(propan-2-yl)acetamide
CID 669886

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one (CID 162412628) is 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one is O=C1NCCN=C1c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is OEIULILOQZJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4H,5-6H2,(H,13,14).
What are the key properties of 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one?
5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 253.10 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 162412628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).