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8-Azaguanine

CAT: 0572-TRC-A806065-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A806065-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134-58-7
Synonyms
5-Amino-3,6-dihydro-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one; Azaguanine; Azan; Guanazol; Guanazolo; Pathocidin
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
NC1=Nc2nn[nH]c2C(=O)N1
Molecular Formula
C4 H4 N6 O
Molecular Weight
152.11
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)
Additionnal Information
IUPAC name: 5-amino-1,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

8-Azaguanine

8-azaguanine is a triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively. It has a role as an antimetabolite, an antineoplastic agent and an EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor. It is a member of triazolopyrimidines and a nucleobase analogue.

CAS Number134-58-7
PubChem CID135403646
IUPAC Name5-amino-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC4H4N6O
Molecular Weight152.11
XLogP-1.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity225
SMILES
C12=NNN=C1N=C(NC2=O)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)
InChIKey
LPXQRXLUHJKZIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Azaguanine
CAS: 134-58-7
CID: 135403646
Formula: C4H4N6O
MW: 152.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.11
XLogP3-1.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass152.04465877
Monoisotopic Mass152.04465877
Topological Polar Surface Area109 Ų
Heavy Atom Count11
Formal Charge0
Complexity225
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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