chempirical

8-Azaguanine

C4H4N6OCAS 134-58-7152.12 g/mol

Open in Covalent MOL file
HNNOHNNNHHN
Phenol

Properties

Molecular formula
C4H4N6O
Molar mass
152.12 g/mol
Exact mass
152.0447 Da
Melting point
300 °C
logP
-1.13Crippen estimate
Polar surface area
114.3 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
0

Identifiers

CAS number
134-58-7
SMILES
N=c1nc(O)c2nn[nH]c2[nH]1
InChIKey
LPXQRXLUHJKZIE-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)

Weigh it out

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

Names and synonyms

18 names · show all
  • 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,6-dihydro-
  • 7H-v-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-1,6-dihydro-
  • 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-1,4-dihydro-
  • v-Triazolo[4,5-d]pyrimidin-7-ol, 5-amino-
  • 5-Amino-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
  • 8-AG
  • Azan
  • 5-Amino-7-hydroxy-1H-v-triazolo[d]pyrimidine
  • 5-Amino-1H-v-triazolo[d]pyrimidin-7-ol
  • Guanazolo
  • Azaguanine
  • Pathocidine
  • 5-Amino-1H-vic-triazolo[d]pyrimidin-7-ol
  • Guanazol
  • NSC 749
  • Pathocidin
  • NSC 151069
  • NSC 223526

Work with 8-Azaguanine

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

8-Mercaptoguanine28128-40-753 % similar Guanine73-40-553 % similar Guanine hydrochloride635-39-249 % similar Pterin2236-60-446 % similar 6,7-Dimethylpterin611-55-245 % similar Guanine sulfate10333-92-343 % similar 3H-1,2,3-Triazolo[4,5-D]pyrimidine-5,7(4H,6H)-dione1468-26-442 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-942 % similar

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

Elsewhere

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