6-methoxy-N-methyl-1H-indazol-3-amine

• ChemBase ID: 810766
• Molecular Formular: C9H11N3O
• Molecular Mass: 177.20314
• Monoisotopic Mass: 177.09021199
• SMILES: N(C)c1n[nH]c2cc(ccc12)OC
• Canonical SMILES: CNc1n[nH]c2c1ccc(c2)OC
• InChI: InChI=1S/C9H11N3O/c1-10-9-7-4-3-6(13-2)5-8(7)11-12-9/h3-5H,1-2H3,(H2,10,11,12)
• InChIKey: FROFWVNLLKINIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-methyl-1H-indazol-3-amine
• IUPAC Traditional name: 6-methoxy-N-methyl-1H-indazol-3-amine
• Synonyms: 6-METHOXY-1H-INDAZOL-3-YL-METHYLAMINE

Database IDs

• CAS Number: 885271-66-9

CALCULATED PROPERTIES

• Acid pKa: 15.187649
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2046849
• LogD (pH = 7.4): 1.2058572
• Log P: 1.205872
• Molar Refractivity: 53.0436 cm^3
• Polarizability: 20.129513 Å^3
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%