6-amino-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

• ChemBase ID: 308015
• Molecular Formular: C7H9N5O
• Molecular Mass: 179.17926
• Monoisotopic Mass: 179.08070993
• SMILES: n12c(nc(n2)C)nc(c(c1O)N)C
• Canonical SMILES: Cc1nc2n(n1)c(O)c(c(n2)C)N
• InChI: InChI=1S/C7H9N5O/c1-3-5(8)6(13)12-7(9-3)10-4(2)11-12/h13H,8H2,1-2H3
• InChIKey: ISUDSUKPJJOHQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
• IUPAC Traditional name: 6-amino-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
• Synonyms: 6-amino-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

Database IDs

• MDL Number: MFCD14742253

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.017307319
• LogD (pH = 7.4): -0.002381515
• Log P: 0.017574351
• Molar Refractivity: 58.7554 cm^3
• Polarizability: 16.873775 Å^3
• Polar Surface Area: 89.33 Å^2