chempirical

2(1H)-Pyrazinone

C4H4N2OCAS 6270-63-996.09 g/mol

Open in Covalent MOL file
ONHN

Properties

Molecular formula
C4H4N2O
Molar mass
96.09 g/mol
Exact mass
96.0324 Da
Melting point
187–188 °C
logP
-0.23Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
6270-63-9
SMILES
O=c1cncc[nH]1
InChIKey
HUTNOYOBQPAKIA-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Pyrazinol
  • 2-Hydroxypyrazine
  • 2-Oxo-1H-pyrazine
  • NSC 36081
  • 1H-Pyrazin-2-one
  • Pyrazin-2-ol
  • Pyrazin-2(1H)-one

Work with 2(1H)-Pyrazinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-2(1H)-pyrazinone374063-92-037 % similar 1H-Pyrrolo[2,3-C]pyridine271-29-433 % similar 1H-Pyrrolo[3,2-C]pyridine271-34-133 % similar 3-Methyl-2(1H)-pyrazinone19838-07-432 % similar 2,2′-Biimidazole492-98-832 % similar 5-Hydroxypyrazine-2-carboxylic acid34604-60-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Imidazole-2-carboxaldehyde10111-08-7 Imidazole-4-carboxaldehyde3034-50-2 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4 Pyrimidone557-01-7

Elsewhere

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