1-(oxan-2-yl)-1H-indazol-4-amine

• ChemBase ID: 64405
• Molecular Formular: C12H15N3O
• Molecular Mass: 217.267
• Monoisotopic Mass: 217.12151212
• SMILES: n1(ncc2c1cccc2N)C1OCCCC1
• Canonical SMILES: Nc1cccc2c1cnn2C1CCCCO1
• InChI: InChI=1S/C12H15N3O/c13-10-4-3-5-11-9(10)8-14-15(11)12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,13H2
• InChIKey: VXUKYBXQNXUXQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-2-yl)-1H-indazol-4-amine
• IUPAC Traditional name: 1-(oxan-2-yl)indazol-4-amine
• Synonyms: 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-4-amine; 4-Amino-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole; 4-Amino-1-(tetrahydropyranyl)-1H-indazole

Database IDs

• CAS Number: 1053655-57-4
• MDL Number: MFCD10699168
• PubChem SID: 162030144
• PubChem CID: 44118232

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4910145
• LogD (pH = 7.4): 1.4916173
• Log P: 1.4916251
• Molar Refractivity: 74.023 cm^3
• Polarizability: 24.949324 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%