N-(furan-3-ylmethyl)-N-methyl-6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-amine

• ChemBase ID: 435838
• Molecular Formular: C14H15N5O
• Molecular Mass: 269.3018
• Monoisotopic Mass: 269.12766013
• SMILES: c1(c2nnc(N(Cc3cocc3)C)cc2)n(ccn1)C
• Canonical SMILES: CN(c1ccc(nn1)c1nccn1C)Cc1cocc1
• InChI: InChI=1S/C14H15N5O/c1-18-7-6-15-14(18)12-3-4-13(17-16-12)19(2)9-11-5-8-20-10-11/h3-8,10H,9H2,1-2H3
• InChIKey: IPDYZPUWWVEDMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-N-methyl-6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-amine
• IUPAC Traditional name: N-(furan-3-ylmethyl)-N-methyl-6-(1-methylimidazol-2-yl)pyridazin-3-amine
• Synonyms: N-(3-furylmethyl)-N-methyl-6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.856895
• LogD (pH = 7.4): 1.8588254
• Log P: 1.8588501
• Molar Refractivity: 88.2136 cm^3
• Polarizability: 28.673079 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.87
• LOG S: -2.76
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4