Chemical Properties of 8-Azaadenine (CAS 1123-54-2)

InChI

InChI=1S/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)

InChI Key

HRYKDUPGBWLLHO-UHFFFAOYSA-N

Formula

C4H4N6

SMILES

Nc1ncnc2[nH]nnc12

Molecular Weight¹

136.11

CAS

1123-54-2

Other Names

• 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine
• Adenine, 8-aza-
• 1H-v-Triazolo(4,5-d)pyrimidine, 7-amino-
• 3H-N-Triazolo(4,5-d)pyrimidin-7-amine
• 6-Amino-8-azapurine
• 7-Amino-v-triazolo(d)pyrimidine
• 7-Amino-1-v-triazolo(d)pyrimidine
• 1H-v-Triazolo(4,5-d)pyrimidin-7-amine
• 7-Amino-1H-v-triazolo(4,5-d)pyrimidine
• 8-Azapurine, 6-amino-
• NSC 32797
• 7-amino-1H-triazolo[4,5-d]pyrimidine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 8-Azaadenine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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