chempirical

3H-1,2,3-Triazolo[4,5-D]pyrimidine-5,7(4H,6H)-dione

C4H3N5O2CAS 1468-26-4153.10 g/mol

Open in Covalent MOL file
HONOHNNNHN
Phenol

Properties

Molecular formula
C4H3N5O2
Molar mass
153.10 g/mol
Exact mass
153.0287 Da
Melting point
above 270 °C (decomposes)
logP
-0.84Crippen estimate
Polar surface area
107.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
0

Identifiers

CAS number
1468-26-4
SMILES
Oc1nc(O)c2nn[nH]c2n1
InChIKey
KVGVQTOQSNJTJI-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)

Weigh it out

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

Names and synonyms

10 names
  • 1H-v-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
  • 1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
  • v-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
  • 8-Azaxanthine
  • v-Triazolo[4,5-d]pyrimidine-5,7-diol
  • Xanthazol
  • [1,2,3]Triazolo[4,5-d]pyrimidine-5,7-diol
  • NSC 756
  • 1H,4H,5H,6H,7H-[1,2,3]Triazolo[4,5-d]pyrimidine-5,7-dione
  • 1H-[1,2,3]Triazolo[4,5-d]pyrimidine-5,7-diol

Work with 3H-1,2,3-Triazolo[4,5-D]pyrimidine-5,7(4H,6H)-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

3,6-Dihydro-7H-1,2,3-triazolo[4,5-D]pyrimidin-7-one2683-90-150 % similar Uric acid69-93-250 % similar Xanthine69-89-648 % similar 8-Azaguanine134-58-742 % similar 7-Deazaxanthine39929-79-841 % similar Lumazine487-21-838 % similar Lumichrome1086-80-233 % similar 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione4956-05-233 % similar

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

Elsewhere

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