5-(2,5-dimethylphenyl)-3-hydrazinyl-1,2,4-triazine

• ChemBase ID: 307422
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: n1c(nncc1c1c(ccc(c1)C)C)NN
• Canonical SMILES: NNc1nncc(n1)c1cc(C)ccc1C
• InChI: InChI=1S/C11H13N5/c1-7-3-4-8(2)9(5-7)10-6-13-16-11(14-10)15-12/h3-6H,12H2,1-2H3,(H,14,15,16)
• InChIKey: QOMVVWMAJWHTNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,5-dimethylphenyl)-3-hydrazinyl-1,2,4-triazine
• IUPAC Traditional name: 5-(2,5-dimethylphenyl)-3-hydrazinyl-1,2,4-triazine
• Synonyms: 5-(2,5-dimethylphenyl)-3-hydrazino-1,2,4-triazine

Database IDs

• CAS Number: 915923-39-6
• MDL Number: MFCD08691589

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.1938562
• LogD (pH = 7.4): 2.2002306
• Log P: 2.2003126
• Molar Refractivity: 67.0849 cm^3
• Polarizability: 24.71242 Å^3
• Polar Surface Area: 76.72 Å^2