{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol

• ChemBase ID: 308715
• Molecular Formular: C8H10N4O
• Molecular Mass: 178.1912
• Monoisotopic Mass: 178.08546096
• SMILES: c12n(nc(n1)CO)c(cc(n2)C)C
• Canonical SMILES: OCc1nn2c(n1)nc(cc2C)C
• InChI: InChI=1S/C8H10N4O/c1-5-3-6(2)12-8(9-5)10-7(4-13)11-12/h3,13H,4H2,1-2H3
• InChIKey: SHYHYVCNCNAWHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol
• IUPAC Traditional name: {5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol
• Synonyms: (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol

Database IDs

• CAS Number: 54535-00-1
• MDL Number: MFCD11846959

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.45683748
• LogD (pH = 7.4): 0.45683724
• Log P: 0.45683768
• Molar Refractivity: 59.6727 cm^3
• Polarizability: 17.546518 Å^3
• Polar Surface Area: 63.31 Å^2