1,3-dimethyl-1H-indazol-5-amine

• ChemBase ID: 291835
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: Cn1nc(C)c2cc(N)ccc12
• Canonical SMILES: Nc1ccc2c(c1)c(C)nn2C
• InChI: InChI=1S/C9H11N3/c1-6-8-5-7(10)3-4-9(8)12(2)11-6/h3-5H,10H2,1-2H3
• InChIKey: OYNYFPQRPFDYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-1H-indazol-5-amine
• IUPAC Traditional name: 1,3-dimethylindazol-5-amine
• Synonyms: 1,3-Dimethyl-1H-indazol-5-amine

Database IDs

• CAS Number: 5757-85-7
• MDL Number: MFCD20705804
• PubChem SID: 180677366
• PubChem CID: 58856095

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7184417
• LogD (pH = 7.4): 0.7223776
• Log P: 0.72242796
• Molar Refractivity: 60.581 cm^3
• Polarizability: 19.324934 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%