5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 693256
• Molecular Formular: C12H10N6O
• Molecular Mass: 254.2474
• Monoisotopic Mass: 254.09160897
• SMILES: n1c(noc1c1cnc(cc1)N)c1nnc(cc1)C
• Canonical SMILES: Nc1ccc(cn1)c1onc(n1)c1ccc(nn1)C
• InChI: InChI=1S/C12H10N6O/c1-7-2-4-9(17-16-7)11-15-12(19-18-11)8-3-5-10(13)14-6-8/h2-6H,1H3,(H2,13,14)
• InChIKey: OZUKTCVRRXVMGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: 5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: 5-[3-(6-methyl-3-pyridazinyl)-1,2,4-oxadiazol-5-yl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.85180116
• LogD (pH = 7.4): 1.0278596
• Log P: 1.030668
• Molar Refractivity: 91.9697 cm^3
• Polarizability: 26.244694 Å^3
• Polar Surface Area: 103.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.9
• LOG S: -2.68
• Polar Surface Area: 103.61 Å^2
• Rotatable Bonds: 2