5-(1H-indazol-1-yl)pyridin-3-amine

• ChemBase ID: 404918
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: n1(ncc2c1cccc2)c1cc(N)cnc1
• Canonical SMILES: Nc1cncc(c1)n1ncc2c1cccc2
• InChI: InChI=1S/C12H10N4/c13-10-5-11(8-14-7-10)16-12-4-2-1-3-9(12)6-15-16/h1-8H,13H2
• InChIKey: CVOPRGMNUAGNQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-indazol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 5-(indazol-1-yl)pyridin-3-amine
• Synonyms: 5-(1H-indazol-1-yl)pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7553825
• LogD (pH = 7.4): 1.0259768
• Log P: 1.0313438
• Molar Refractivity: 63.2909 cm^3
• Polarizability: 25.214622 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.62
• LOG S: -2.98
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1