3-methyl-6-{5-[(1S)-1-(1H-1,2,3,4-tetrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridazine

• ChemBase ID: 857785
• Molecular Formular: C10H10N8O
• Molecular Mass: 258.2394
• Monoisotopic Mass: 258.09775698
• SMILES: n1c([C@@H](n2nnnc2)C)onc1c1nnc(cc1)C
• Canonical SMILES: Cc1ccc(nn1)c1noc(n1)[C@@H](n1cnnn1)C
• InChI: InChI=1S/C10H10N8O/c1-6-3-4-8(14-13-6)9-12-10(19-15-9)7(2)18-5-11-16-17-18/h3-5,7H,1-2H3/t7-/m0/s1
• InChIKey: QGLWLIMGKGPGQU-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-6-{5-[(1S)-1-(1H-1,2,3,4-tetrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridazine
• IUPAC Traditional name: 3-methyl-6-{5-[(1S)-1-(1,2,3,4-tetrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridazine
• Synonyms: 3-methyl-6-{5-[(1S)-1-(1H-tetrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.0978265
• LogD (pH = 7.4): 0.097843856
• Log P: 0.09784407
• Molar Refractivity: 89.9212 cm^3
• Polarizability: 24.097134 Å^3
• Polar Surface Area: 108.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 0.37
• LOG S: -1.4
• Polar Surface Area: 108.3 Å^2
• Rotatable Bonds: 3