6-methoxy-1H-indazol-5-amine

• ChemBase ID: 293120
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: Nc1cc2c([nH]nc2)cc1OC
• Canonical SMILES: COc1cc2[nH]ncc2cc1N
• InChI: InChI=1S/C8H9N3O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,9H2,1H3,(H,10,11)
• InChIKey: GHEKVHASRAQCNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1H-indazol-5-amine
• IUPAC Traditional name: 6-methoxy-1H-indazol-5-amine
• Synonyms: 6-Methoxy-1H-indazol-5-amine

Database IDs

• CAS Number: 749223-61-8
• MDL Number: MFCD11007882
• PubChem SID: 180678651
• PubChem CID: 27274712

CALCULATED PROPERTIES

• Acid pKa: 14.356006
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.30758068
• LogD (pH = 7.4): 0.30968353
• Log P: 0.30971047
• Molar Refractivity: 47.2367 cm^3
• Polarizability: 18.291252 Å^3
• Polar Surface Area: 63.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%