5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol

• ChemBase ID: 92369
• Molecular Formular: C6H6N4O
• Molecular Mass: 150.13804
• Monoisotopic Mass: 150.05416083
• SMILES: n1cc2c(c(nc(n2)C)O)[nH]1
• Canonical SMILES: Cc1nc(O)c2c(n1)cn[nH]2
• InChI: InChI=1S/C6H6N4O/c1-3-8-4-2-7-10-5(4)6(11)9-3/h2H,1H3,(H,7,10)(H,8,9,11)
• InChIKey: KJGPQVNCQAEOSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol
• IUPAC Traditional name: 5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol
• Synonyms: 5-Methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol

Database IDs

• MDL Number: MFCD08543457
• PubChem SID: 162079067
• PubChem CID: 21802011

CALCULATED PROPERTIES

• Acid pKa: 9.180718
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.69110835
• LogD (pH = 7.4): 0.6842634
• Log P: 0.6911978
• Molar Refractivity: 39.2842 cm^3
• Polarizability: 15.255937 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true