chempirical

Triciribine

C13H16N6O4CAS 35943-35-2320.31 g/mol

Open in Covalent MOL file
NHNNHNOOHOHOHNN
AlcoholAmidineEtherTertiary amine

Properties

Molecular formula
C13H16N6O4
Molar mass
320.31 g/mol
Exact mass
320.1233 Da
Melting point
205 °C (decomposes)
logP
-1.68Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
35943-35-2
SMILES
CN1NC(=N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23
InChIKey
HOGVTUZUJGHKPL-HTVVRFAVSA-N
InChI
InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-β-D-ribofuranosyl-
  • 1,5-Dihydro-5-methyl-1-β-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylen-3-amine
  • 6-Amino-4-methyl-8-(β-D-ribofuranosyl)-4H,8H-pyrrolo[4,3,2-de]pyrimido[4,5-c]pyridazine
  • NSC 154020
  • TCN
  • API 2
  • AKT Inhibitor V
  • Triciribidine

Work with Triciribine

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

N6-Dimethyladenosine2620-62-452 % similar 5-Iodotubercidin24386-93-449 % similar N6-Methyladenosine1867-73-847 % similar Zeatin riboside6025-53-243 % similar Vidarabine5536-17-443 % similar Adenosine58-61-743 % similar Inosine58-63-943 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-043 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook