7-hydrazinyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

• ChemBase ID: 114924
• Molecular Formular: C7H7F3N6
• Molecular Mass: 232.1658896
• Monoisotopic Mass: 232.06842891
• SMILES: n12c(nc(n1)C(F)(F)F)nc(cc2NN)C
• Canonical SMILES: NNc1cc(C)nc2n1nc(n2)C(F)(F)F
• InChI: InChI=1S/C7H7F3N6/c1-3-2-4(14-11)16-6(12-3)13-5(15-16)7(8,9)10/h2,14H,11H2,1H3
• InChIKey: ULPZFRWSLGUVLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydrazinyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 7-hydrazinyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
• Synonyms: 7-Hydrazino-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine; 7-hydrazinyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Database IDs

• MDL Number: MFCD06740805
• PubChem SID: 162099836
• PubChem CID: 4737211

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4104004
• LogD (pH = 7.4): 1.4802002
• Log P: 1.4811667
• Molar Refractivity: 62.791 cm^3
• Polarizability: 17.331327 Å^3
• Polar Surface Area: 81.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.78524
• Hydrophobicity(logP): 1.655

Product Information

• Purity: 95%; 95+%