2-(5-amino-1H-indazol-1-yl)ethan-1-ol

• ChemBase ID: 53185
• Molecular Formular: C9H11N3O
• Molecular Mass: 177.20314
• Monoisotopic Mass: 177.09021199
• SMILES: c1(ccc2c(c1)cnn2CCO)N
• Canonical SMILES: OCCn1ncc2c1ccc(c2)N
• InChI: InChI=1S/C9H11N3O/c10-8-1-2-9-7(5-8)6-11-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2
• InChIKey: DKIVBAYGSPWLJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-1H-indazol-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(5-aminoindazol-1-yl)ethanol
• Synonyms: 2-(5-Amino-1H-indazol-1-yl)ethanol; 2-(5-Amino-1H-indazol-1-yl)ethan-1-ol; 5-Amino-1-(2-hydroxyethyl)-1H-indazole; (5-AMino-1H-indazol-1-yl)ethanol

Database IDs

• CAS Number: 885270-96-2
• MDL Number: MFCD08234749
• PubChem SID: 162057948
• PubChem CID: 44119441

CALCULATED PROPERTIES

• Acid pKa: 15.393555
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.102231465
• LogD (pH = 7.4): -0.09908449
• Log P: -0.09904421
• Molar Refractivity: 62.2818 cm^3
• Polarizability: 19.996422 Å^3
• Polar Surface Area: 64.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%