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

• ChemBase ID: 309406
• Molecular Formular: C5H5N5O
• Molecular Mass: 151.1261
• Monoisotopic Mass: 151.04940981
• SMILES: c12n(c(cc(n1)O)N)ncn2
• Canonical SMILES: Oc1cc(N)n2c(n1)ncn2
• InChI: InChI=1S/C5H5N5O/c6-3-1-4(11)9-5-7-2-8-10(3)5/h1-2H,6H2,(H,7,8,9,11)
• InChIKey: JIXZXRNBZVMIQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35186-69-7
• MDL Number: MFCD14525857

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.23621146
• LogD (pH = 7.4): -0.23781201
• Log P: -0.23619014
• Molar Refractivity: 49.853 cm^3
• Polarizability: 13.384252 Å^3
• Polar Surface Area: 89.33 Å^2