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

C5H5BrN2O — CID 20528957

IUPAC5-bromo-3-methyl-1H-pyrazin-2-one
SMILESCc1nc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChIKeyRNHAEGVBHQSLFS-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.84
Rot. Bonds

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

5-bromo-3-methyl-1H-pyrazin-2-one (PubChem CID 20528957) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 5-bromo-3-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1H-pyrazin-2-one
PubChem CID20528957
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name5-bromo-3-methyl-1H-pyrazin-2-one
SMILESCc1nc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChIKeyRNHAEGVBHQSLFS-UHFFFAOYSA-N
XLogP0.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1H-pyrazin-2-one?
The IUPAC name of 5-bromo-3-methyl-1H-pyrazin-2-one (CID 20528957) is 5-bromo-3-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1H-pyrazin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1H-pyrazin-2-one is Cc1nc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-3-methyl-1H-pyrazin-2-one?
The InChIKey is RNHAEGVBHQSLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9).
What are the key properties of 5-bromo-3-methyl-1H-pyrazin-2-one?
5-bromo-3-methyl-1H-pyrazin-2-one has a molecular weight of 189.01 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 20528957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).