6-hydrazinyl-1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridine

• ChemBase ID: 82491
• Molecular Formular: C9H13N5
• Molecular Mass: 191.23302
• Monoisotopic Mass: 191.11709544
• SMILES: n1(c2c(c(cc(n2)NN)C)c(n1)C)C
• Canonical SMILES: Cc1cc(NN)nc2c1c(C)nn2C
• InChI: InChI=1S/C9H13N5/c1-5-4-7(12-10)11-9-8(5)6(2)13-14(9)3/h4H,10H2,1-3H3,(H,11,12)
• InChIKey: NDFXPLOECYNSHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinyl-1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridine
• IUPAC Traditional name: 6-hydrazinyl-1,3,4-trimethylpyrazolo[3,4-b]pyridine
• Synonyms: 6-hydrazino-1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridine

Database IDs

• CAS Number: 175202-00-3
• MDL Number: MFCD00067969
• PubChem SID: 162069610
• PubChem CID: 2778646

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.11413154
• LogD (pH = 7.4): 1.0187662
• Log P: 1.2006651
• Molar Refractivity: 68.7377 cm^3
• Polarizability: 20.92473 Å^3
• Polar Surface Area: 68.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%