4-(cyclohexyloxy)-1H-indazol-3-amine

• ChemBase ID: 50228
• Molecular Formular: C13H17N3O
• Molecular Mass: 231.29358
• Monoisotopic Mass: 231.13716218
• SMILES: n1c(c2c(OC3CCCCC3)cccc2[nH]1)N
• Canonical SMILES: Nc1n[nH]c2c1c(OC1CCCCC1)ccc2
• InChI: InChI=1S/C13H17N3O/c14-13-12-10(15-16-13)7-4-8-11(12)17-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H3,14,15,16)
• InChIKey: BUAYYOWTCOGQSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclohexyloxy)-1H-indazol-3-amine
• IUPAC Traditional name: 4-(cyclohexyloxy)-1H-indazol-3-amine
• Synonyms: 4-(Cyclohexyloxy)-1H-indazol-3-amine

Database IDs

• CAS Number: 927802-30-0
• MDL Number: MFCD09054763
• PubChem SID: 162054991
• PubChem CID: 53409929

CALCULATED PROPERTIES

• Acid pKa: 15.340769
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7014053
• LogD (pH = 7.4): 2.7034128
• Log P: 2.7034385
• Molar Refractivity: 68.5644 cm^3
• Polarizability: 26.777052 Å^3
• Polar Surface Area: 63.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false