6-(1-methyl-1H-imidazol-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyridazin-3-amine

• ChemBase ID: 647765
• Molecular Formular: C19H23N7
• Molecular Mass: 349.43282
• Monoisotopic Mass: 349.20149377
• SMILES: c1(c2nnc(NCCc3nc4c(c(n3)C)CCCC4)cc2)n(ccn1)C
• Canonical SMILES: Cc1nc(CCNc2ccc(nn2)c2nccn2C)nc2c1CCCC2
• InChI: InChI=1S/C19H23N7/c1-13-14-5-3-4-6-15(14)23-18(22-13)9-10-20-17-8-7-16(24-25-17)19-21-11-12-26(19)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,25)
• InChIKey: DDYMTLXUVZDCOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1-methyl-1H-imidazol-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyridazin-3-amine
• IUPAC Traditional name: N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine
• Synonyms: 6-(1-methyl-1H-imidazol-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.411564
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.2549198
• LogD (pH = 7.4): 2.2613986
• Log P: 2.2614815
• Molar Refractivity: 113.9897 cm^3
• Polarizability: 38.189312 Å^3
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.24
• LOG S: -3.66
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 5