1-(2-aminopropyl)-1H-indazol-6-ol

• ChemBase ID: 125664
• Molecular Formular: C10H13N3O
• Molecular Mass: 191.22972
• Monoisotopic Mass: 191.10586205
• SMILES: CC(N)Cn1ncc2ccc(O)cc12
• Canonical SMILES: CC(Cn1ncc2c1cc(O)cc2)N
• InChI: InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3
• InChIKey: WBYHTZYHAFNBKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropyl)-1H-indazol-6-ol
• IUPAC Traditional name: 1-(2-aminopropyl)indazol-6-ol
• Synonyms: AL-34662

Database IDs

• CAS Number: 210580-75-9
• PubChem SID: 162220014
• PubChem CID: 9815499
• CHEMBL: 371300
• Chemspider ID: 21467821
• Wikipedia Title: AL-34662

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.5311135
• Log P: -0.06094858
• Molar Refractivity: 65.6386 cm^3
• Polarizability: 22.22311 Å^3
• Polar Surface Area: 64.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 9.277995
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2711363

PROPERTIES

Physical Property

• Melting Point: 170-172 °C (338-341.6°F)