chempirical

1,2,4-Triazine-3,5(2H,4H)-dione

C3H3N3O2CAS 461-89-2113.08 g/mol

Open in Covalent MOL file
HONNOHN
Phenol

Properties

Molecular formula
C3H3N3O2
Molar mass
113.08 g/mol
Exact mass
113.0225 Da
Melting point
274.5 °C
logP
-0.72Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
461-89-2
SMILES
Oc1cnnc(O)n1
InChIKey
SSPYSWLZOPCOLO-UHFFFAOYSA-N
InChI
InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)

Weigh it out

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

Names and synonyms

10 names
  • As-Triazine-3,5(2H,4H)-dione
  • As-Triazine-3,5-diol
  • 6-Azauracil
  • NSC 3425
  • 2,3,4,5-Tetrahydro-1,2,4-triazine-3,5-dione
  • IPO 3834
  • 1,2,4-Triazine-3,5-diol
  • 2H-[1,2,4]Triazine-3,5-dione
  • 3-Hydroxy-4,5-dihydro-1,2,4-triazin-5-one
  • 3-Hydroxy-4H-[1,2,4]triazin-5-one

Work with 1,2,4-Triazine-3,5(2H,4H)-dione

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-Iodo-3(2H)-pyridazinone825633-94-143 % similar Uracil66-22-841 % similar 6-Chlorouracil4270-27-338 % similar 6-Methyluracil626-48-238 % similar 6-Aminouracil873-83-638 % similar 3(2H)-Pyridazinone504-30-337 % similar Maleic hydrazide123-33-135 % similar 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione18592-13-734 % similar

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

Same formula

4-Nitropyrazole2075-46-9 3-Nitropyrazole26621-44-3 Nitroimidazole3034-38-6 1,2,4-Triazole-3-carboxylic acid4928-87-4 2-Nitroimidazole527-73-1

Elsewhere

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