1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 865237
• Molecular Formular: C12H14N4
• Molecular Mass: 214.26636
• Monoisotopic Mass: 214.12184647
• SMILES: n1(c2c(cn1)C(N)CCC2)c1ncccc1
• Canonical SMILES: NC1CCCc2c1cnn2c1ccccn1
• InChI: InChI=1S/C12H14N4/c13-10-4-3-5-11-9(10)8-15-16(11)12-6-1-2-7-14-12/h1-2,6-8,10H,3-5,13H2
• InChIKey: HFHIPHFTQUFQFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: 1-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6523751
• LogD (pH = 7.4): -0.5741335
• Log P: 1.3145044
• Molar Refractivity: 63.263 cm^3
• Polarizability: 23.9182 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: 3
• H Donor: 1
• Log P: 1.58
• LOG S: -1.1
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1