3-(2-aminoethoxy)-6-(dimethyl-1,3-thiazol-5-yl)pyridazine

• ChemBase ID: 114465
• Molecular Formular: C11H14N4OS
• Molecular Mass: 250.32006
• Monoisotopic Mass: 250.08883209
• SMILES: c1(c(nc(s1)C)C)c1nnc(cc1)OCCN
• Canonical SMILES: NCCOc1ccc(nn1)c1sc(nc1C)C
• InChI: InChI=1S/C11H14N4OS/c1-7-11(17-8(2)13-7)9-3-4-10(15-14-9)16-6-5-12/h3-4H,5-6,12H2,1-2H3
• InChIKey: LEZDTKVFUQNRQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethoxy)-6-(dimethyl-1,3-thiazol-5-yl)pyridazine
• IUPAC Traditional name: 3-(2-aminoethoxy)-6-(dimethyl-1,3-thiazol-5-yl)pyridazine
• Synonyms: (2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]oxy}ethyl)amine

Database IDs

• MDL Number: MFCD21091649
• PubChem SID: 162099589
• PubChem CID: 52903514

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.6031642
• LogD (pH = 7.4): -1.4955394
• Log P: 0.35861534
• Molar Refractivity: 67.2798 cm^3
• Polarizability: 26.693605 Å^3
• Polar Surface Area: 73.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.505

Product Information

• Purity: 95%