Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 8-Azaadenine
RN: 1123-54-2
UNII: WPP3R9U93J
InChIKey: HRYKDUPGBWLLHO-UHFFFAOYSA-N

Note

  • Xanthine oxidase inhibitor.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C4-H4-N6

Molecular Weight

  • 136.1176
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 8-Azaadenine

Synonyms

  • 3H-N-Triazolo(4,5-d)pyrimidin-7-amine
  • 6-Amino-8-azapurine
  • 7-Amino-1-v-triazolo(d)pyrimidine
  • 7-Amino-1H-v-triazolo(4,5-d)pyrimidine
  • 7-Amino-v-triazolo(d)pyrimidine
  • 8-Azaadenine
  • 8-Azapurine, 6-amino-
  • Adenine, 8-aza-
  • EINECS 214-375-5
  • NSC 32797
  • UNII-WPP3R9U93J

Systematic Names

  • 1H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
  • 1H-v-Triazolo(4,5-d)pyrimidin-7-amine
  • 1H-v-Triazolo(4,5-d)pyrimidine, 7-amino- (8CI)
  • 3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
  • 7-Amino-1H-triazolo(4,5-d)pyrimidine

Registry Numbers

CAS Registry Number

  • 1123-54-2

FDA UNII

  • WPP3R9U93J

Other Registry Numbers

  • 2001-92-5
  • 212954-76-2
  • 213139-41-4
  • 213139-42-5

System Generated Number

  • 0001123542

Structure Descriptors

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

Smiles

c1nc(c2c(n1)nn[nH]2)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 315mg/kg (315mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 224, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point > 300 deg C   EXP
log P (octanol-water) -0.96 (none)   EXP
Water Solubility 2.81E+04 mg/L 25 EST
Vapor Pressure 5.50E-06 mm Hg 25 EST
Henry's Law Constant 2.81E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.52E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.