1-(oxan-2-yl)-1H-indazol-5-amine

• ChemBase ID: 64407
• Molecular Formular: C12H15N3O
• Molecular Mass: 217.267
• Monoisotopic Mass: 217.12151212
• SMILES: n1(ncc2c1ccc(c2)N)C1OCCCC1
• Canonical SMILES: Nc1ccc2c(c1)cnn2C1CCCCO1
• InChI: InChI=1S/C12H15N3O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
• InChIKey: MMBUQRHOEINQHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-2-yl)-1H-indazol-5-amine
• IUPAC Traditional name: 1-(oxan-2-yl)indazol-5-amine
• Synonyms: 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine; 5-Amino-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole; 5-Amino-1-(tetrahydropyranyl)-1H-indazole

Database IDs

• CAS Number: 478832-10-9
• MDL Number: MFCD10699170
• PubChem SID: 162030146
• PubChem CID: 22933927

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4883895
• LogD (pH = 7.4): 1.4915842
• Log P: 1.4916251
• Molar Refractivity: 74.023 cm^3
• Polarizability: 24.950659 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: 98%