N-methyl-6-(1-methyl-1H-imidazol-2-yl)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridazin-3-amine

• ChemBase ID: 505552
• Molecular Formular: C19H20N6
• Molecular Mass: 332.4023
• Monoisotopic Mass: 332.17494467
• SMILES: c1([nH]c2c(c1C)cccc2)CN(c1nnc(c2n(ccn2)C)cc1)C
• Canonical SMILES: CN(c1ccc(nn1)c1nccn1C)Cc1[nH]c2c(c1C)cccc2
• InChI: InChI=1S/C19H20N6/c1-13-14-6-4-5-7-15(14)21-17(13)12-25(3)18-9-8-16(22-23-18)19-20-10-11-24(19)2/h4-11,21H,12H2,1-3H3
• InChIKey: NSLGADUVWRDKND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(1-methyl-1H-imidazol-2-yl)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridazin-3-amine
• IUPAC Traditional name: N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine
• Synonyms: N-methyl-6-(1-methyl-1H-imidazol-2-yl)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.757462
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2488465
• LogD (pH = 7.4): 3.2507646
• Log P: 3.2507892
• Molar Refractivity: 111.7054 cm^3
• Polarizability: 38.81014 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.1
• LOG S: -4.27
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 4