5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one

C11H9BrN2O — CID 165356399

IUPAC5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)c(-c2ccccc2)nc1Br
InChIInChI=1S/C11H9BrN2O/c1-7-10(12)14-9(11(15)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,15)
InChIKeyIFHGJANHXCNCLA-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.51
Rot. Bonds1

About 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one

5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one (PubChem CID 165356399) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one
PubChem CID165356399
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)c(-c2ccccc2)nc1Br
InChIInChI=1S/C11H9BrN2O/c1-7-10(12)14-9(11(15)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,15)
InChIKeyIFHGJANHXCNCLA-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one?
The IUPAC name of 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one (CID 165356399) is 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one?
The canonical SMILES for 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one is Cc1[nH]c(=O)c(-c2ccccc2)nc1Br.
What is the InChIKey of 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one?
The InChIKey is IFHGJANHXCNCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-7-10(12)14-9(11(15)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,15).
What are the key properties of 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one?
5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one has a molecular weight of 265.11 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one is sourced from PubChem (CID 165356399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).