[(1,5-dimethyl-1H-indazol-3-yl)methyl][1-(1H-imidazol-1-yl)propan-2-yl]amine

• ChemBase ID: 351517
• Molecular Formular: C16H21N5
• Molecular Mass: 283.37144
• Monoisotopic Mass: 283.1796957
• SMILES: n1n(c2c(c1CNC(Cn1cncc1)C)cc(cc2)C)C
• Canonical SMILES: CC(Cn1cncc1)NCc1nn(c2c1cc(C)cc2)C
• InChI: InChI=1S/C16H21N5/c1-12-4-5-16-14(8-12)15(19-20(16)3)9-18-13(2)10-21-7-6-17-11-21/h4-8,11,13,18H,9-10H2,1-3H3
• InChIKey: SJKUJRYACMVHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1,5-dimethyl-1H-indazol-3-yl)methyl][1-(1H-imidazol-1-yl)propan-2-yl]amine
• IUPAC Traditional name: [(1,5-dimethylindazol-3-yl)methyl][1-(imidazol-1-yl)propan-2-yl]amine
• Synonyms: N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-1-(1H-imidazol-1-yl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1023808
• LogD (pH = 7.4): 0.90301776
• Log P: 1.8967278
• Molar Refractivity: 95.4154 cm^3
• Polarizability: 33.409576 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.02
• LOG S: -1.98
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 5