3-(4-methylpyridin-2-yl)-1H-indazol-5-amine

• ChemBase ID: 796295
• Molecular Formular: C13H12N4
• Molecular Mass: 224.26118
• Monoisotopic Mass: 224.1061964
• SMILES: c1(n[nH]c2ccc(cc12)N)c1nccc(c1)C
• Canonical SMILES: Cc1ccnc(c1)c1n[nH]c2c1cc(N)cc2
• InChI: InChI=1S/C13H12N4/c1-8-4-5-15-12(6-8)13-10-7-9(14)2-3-11(10)16-17-13/h2-7H,14H2,1H3,(H,16,17)
• InChIKey: OIAXIEQXZJXLJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylpyridin-2-yl)-1H-indazol-5-amine
• IUPAC Traditional name: 3-(4-methylpyridin-2-yl)-1H-indazol-5-amine
• Synonyms: 3-(4-Methylpyridin-2-yl)-1H-indazol-5-aMine

Database IDs

• CAS Number: 1356088-04-4

CALCULATED PROPERTIES

• Acid pKa: 12.783912
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.179117
• LogD (pH = 7.4): 2.1820178
• Log P: 2.1820567
• Molar Refractivity: 68.05 cm^3
• Polarizability: 27.697668 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%