5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

• ChemBase ID: 291702
• Molecular Formular: C7H9N5O2
• Molecular Mass: 195.17866
• Monoisotopic Mass: 195.07562455
• SMILES: Nc1nn2c(OC)ncc(OC)c2n1
• Canonical SMILES: COc1ncc(c2n1nc(n2)N)OC
• InChI: InChI=1S/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
• InChIKey: DBJPBHJHAPAUQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
• IUPAC Traditional name: 5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
• Synonyms: 5,8-Dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

Database IDs

• CAS Number: 219715-62-5
• MDL Number: MFCD17168561
• PubChem SID: 180677233
• PubChem CID: 11446888

CALCULATED PROPERTIES

• Acid pKa: 14.87132
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.18517977
• LogD (pH = 7.4): 0.18521999
• Log P: 0.18522052
• Molar Refractivity: 59.9938 cm^3
• Polarizability: 17.824635 Å^3
• Polar Surface Area: 87.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%