chempirical

1,2-Dihydropyrazin-2-one

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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

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

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

Work with 1,2-Dihydropyrazin-2-one

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

2-Mercaptopyrazine38521-06-146 % similar 4-Pyrimidinol51953-18-541 % similar 5-Bromo-2(1H)-pyrazinone374063-92-037 % similar 2,6-Naphthyridin-1-ol80935-77-936 % similar 2-Hydroxy-4-methylpyridine13466-41-634 % similar 1H-Pyrrolo[2,3-c]pyridine271-29-433 % similar 1H-Pyrrolo[3,2-c]pyridine271-34-133 % similar 4-Bromopyridin-2-ol36953-37-433 % similar

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

Same formula

Imidazole-2-carboxaldehyde10111-08-7 Pyrimidin-5-ol26456-59-7 Imidazole-4-carboxaldehyde3034-50-2 1H-Pyrazole-4-carbaldehyde35344-95-7 1H-Pyrazole-3-carbaldehyde3920-50-1 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook