chempirical

3,6-Dihydro-7H-1,2,3-triazolo[4,5-D]pyrimidin-7-one

C4H3N5OCAS 2683-90-1137.10 g/mol

Open in Covalent MOL file
OHNNHNNN
Phenol

Properties

Molecular formula
C4H3N5O
Molar mass
137.10 g/mol
Exact mass
137.0338 Da
Melting point
332 °C (decomposes)
logP
-0.55Crippen estimate
Polar surface area
87.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
2683-90-1
SMILES
Oc1ncnc2[nH]nnc12
InChIKey
OEEYCNOOAHGFHL-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)

Weigh it out

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

Names and synonyms

11 names
  • 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-
  • 7H-v-Triazolo[4,5-d]pyrimidin-7-one, 1,6-dihydro-
  • 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 1,4-dihydro-
  • 8-Azahypoxanthine
  • 1H-v-Triazolo[4,5-d]pyrimidin-7-ol
  • 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol
  • 7-Hydroxy-v-triazolo[d]pyrimidine
  • 7-Hydroxy-1,2,3,4,6-pentaazaindene
  • NSC 22709
  • 1H,4H,7H-[1,2,3]Triazolo[4,5-d]pyrimidin-7-one
  • 2,3-Dihydrotriazolo[4,5-d]pyrimidin-7-one

Work with 3,6-Dihydro-7H-1,2,3-triazolo[4,5-D]pyrimidin-7-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

3H-1,2,3-Triazolo[4,5-D]pyrimidin-7-amine1123-54-255 % similar Hypoxanthine68-94-052 % similar 3H-1,2,3-Triazolo[4,5-D]pyrimidine-5,7(4H,6H)-dione1468-26-450 % similar 7-Deazahypoxanthine3680-71-542 % similar 5-Fluoro-6-hydroxy-4(3H)-pyrimidinone106615-61-637 % similar 8-Azaguanine134-58-734 % similar Allopurinol315-30-033 % similar Quinazolinone491-36-131 % similar

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

Elsewhere

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