1H-indazol-5-amine hydrochloride

• ChemBase ID: 255021
• Molecular Formular: C7H8ClN3
• Molecular Mass: 169.61152
• Monoisotopic Mass: 169.04067495
• SMILES: n1[nH]c2c(c1)cc(N)cc2.Cl
• Canonical SMILES: Nc1ccc2c(c1)cn[nH]2.Cl
• InChI: InChI=1S/C7H7N3.ClH/c8-6-1-2-7-5(3-6)4-9-10-7;/h1-4H,8H2,(H,9,10);1H
• InChIKey: DHDNJTBILGPMBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-5-amine hydrochloride
• IUPAC Traditional name: 1H-indazol-5-amine hydrochloride
• Synonyms: 1H-indazol-5-amine hydrochloride

Database IDs

• CAS Number: 64309-76-8
• MDL Number: MFCD06801367
• PubChem SID: 164310931
• PubChem CID: 21122896

CALCULATED PROPERTIES

• Acid pKa: 14.390271
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.46398488
• LogD (pH = 7.4): 0.46733877
• Log P: 0.46738175
• Molar Refractivity: 40.7735 cm^3
• Polarizability: 15.799099 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.036

Product Information

• Purity: 95%