chempirical

3H-1,2,3-Triazolo[4,5-D]pyrimidin-7-amine

C4H4N6CAS 1123-54-2136.12 g/mol

Open in Covalent MOL file
NH2NNHNNN
Primary amine

Properties

Molecular formula
C4H4N6
Molar mass
136.12 g/mol
Exact mass
136.0497 Da
Melting point
above 300 °C
logP
-0.67Crippen estimate
Polar surface area
93.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
1123-54-2
SMILES
Nc1ncnc2[nH]nnc12
InChIKey
HRYKDUPGBWLLHO-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)

Weigh it out

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

Names and synonyms

8 names
  • 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine
  • 1H-v-Triazolo[4,5-d]pyrimidine, 7-amino-
  • 7-Amino-1-v-triazolo[d]pyrimidine
  • 8-Azaadenine
  • 7-Amino-v-triazolo[d]pyrimidine
  • 6-Amino-8-azapurine
  • 8-Aza-6-aminopurine
  • NSC 32797

Work with 3H-1,2,3-Triazolo[4,5-D]pyrimidin-7-amine

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-one2683-90-155 % similar 9-Methyladenine700-00-535 % similar 9-(2-Hydroxyethyl)adenine707-99-331 % similar Adenine73-24-531 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook