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8-Azaadenine

CAT: 0931-T20042-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T20042-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1123-54-2
Target
Xanthine Oxidase
Related Pathways
Metabolism
Purity
0.9968
Bioactivity
8-Azaadenine (NSC-32797) is an inhibitor of xanthine oxidase with IC50 of 0.54 μM and Ki of 0.66 μM.
Smiles
NC1=NC=NC2=NNN=C12
Molecular Formula
C4H4N6
Molecular Weight
136.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine

8-azaadenine is a triazolopyrimidine that is [1,2,3]triazolo[4,5-d]pyrimidine bearing an amino substituent at position 7. It has a role as a Mycoplasma genitalium metabolite and an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is an aromatic amine, a member of triazolopyrimidines and a nucleobase analogue.

CAS Number1123-54-2
PubChem CID70746
IUPAC Name2H-triazolo[4,5-d]pyrimidin-7-amine
Molecular FormulaC4H4N6
Molecular Weight136.12
XLogP-0.7
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=NC2=NNN=C2C(=N1)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)
InChIKey
HRYKDUPGBWLLHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
CAS: 1123-54-2
CID: 70746
Formula: C4H4N6
MW: 136.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.12
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass136.04974415
Monoisotopic Mass136.04974415
Topological Polar Surface Area93.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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