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

• ChemBase ID: 307419
• Molecular Formular: C10H11N5O
• Molecular Mass: 217.22724
• Monoisotopic Mass: 217.09636
• SMILES: c1(nc(c2cc(OC)ccc2)cnn1)NN
• Canonical SMILES: COc1cccc(c1)c1cnnc(n1)NN
• InChI: InChI=1S/C10H11N5O/c1-16-8-4-2-3-7(5-8)9-6-12-15-10(13-9)14-11/h2-6H,11H2,1H3,(H,13,14,15)
• InChIKey: VFQKUNUNUMFNQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915922-25-7
• MDL Number: MFCD08691587

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.0105251
• LogD (pH = 7.4): 1.0157316
• Log P: 1.0157986
• Molar Refractivity: 63.4657 cm^3
• Polarizability: 23.68965 Å^3
• Polar Surface Area: 85.95 Å^2