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Chemical structure of 8-Azaadenine

GC76728

8-Azaadenine

Also known as 2H-triazolo[4,5-d]pyrimidin-7-amine

8-Azaadenine is a Xanthine Oxidase inhibitor (IC50 = 0·54 μM)

ChemicalCAS1123-54-2MW136.11FormulaC4H4N6
CAS number
1123-54-2
Molecular weight
136.11
Formula
C4H4N6
Solubility
DMSO： 25 mg/mL (183·67 mM; Need ultrasonic)
InChIKey
HRYKDUPGBWLLHO-UHFFFAOYSA-N
Catalogue number
GC76728
Brand
GLPBIO
Computed properties PubChem CID 70746 · XLogP -0.7 · TPSA 93.4 Ų · H-bond donors 2
XLogP
-0.7
TPSA
93.4 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
10

SMILES C1=NC2=NNN=C2C(=N1)N

Computed descriptors from PubChem (CID 70746), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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