chempirical

Cyanuric acid

C3H3N3O3CAS 108-80-5129.07 g/mol

Open in Covalent MOL file
OHNOHNHON
Phenol

Properties

Molecular formula
C3H3N3O3
Molar mass
129.07 g/mol
Exact mass
129.0174 Da
Density
2.5 g/mL (at 20 °C)
Melting point
360 °C
Boiling point
155–158 °C
logP
-1.01Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
0

Identifiers

CAS number
108-80-5
SMILES
Oc1nc(O)nc(O)n1
InChIKey
ZFSLODLOARCGLH-UHFFFAOYSA-N
InChI
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

Weigh it out

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

Names and synonyms

16 names · show all
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione
  • Isocyanuric acid
  • s-Triazine-2,4,6(1H,3H,5H)-trione
  • Tricyanic acid
  • Trihydroxycyanidine
  • 2,4,6-Trihydroxy-1,3,5-triazine
  • s-Triazine-2,4,6-triol
  • Pseudocyanuric acid
  • 2,4,6-Trihydroxy-s-triazine
  • 2,4,6-Trioxohexahydro-1,3,5-triazine
  • 5-Azabarbituric acid
  • ICA-P
  • 1,3,5-Triazine-2,4,6-trione
  • NSC 6284
  • 1,3,5-Triazine-2,4,6-triol
  • [1,3,5]Triazine-2,4,6-triol

Work with Cyanuric acid

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Melamine cyanurate37640-57-653 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-244 % similar 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride34289-60-638 % similar Urazole3232-84-637 % similar 5,6-Dimethyluracil26305-13-536 % similar 5,6-Diaminouracil3240-72-036 % similar 6-Chlorouracil4270-27-336 % similar 6-Aminouracil873-83-636 % similar

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

Same formula

4-Amino-1,2,5-oxadiazole-3-carboxylic acid78350-50-2

Elsewhere

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