4-hydrazinyl-6-(pyridin-2-yl)-1,3,5-triazin-2-amine

• ChemBase ID: 84446
• Molecular Formular: C8H9N7
• Molecular Mass: 203.20396
• Monoisotopic Mass: 203.09194332
• SMILES: n1c(nc(nc1NN)N)c1ncccc1
• Canonical SMILES: NNc1nc(N)nc(n1)c1ccccn1
• InChI: InChI=1S/C8H9N7/c9-7-12-6(13-8(14-7)15-10)5-3-1-2-4-11-5/h1-4H,10H2,(H3,9,12,13,14,15)
• InChIKey: IUZZPNVYTDWGEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-(pyridin-2-yl)-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-hydrazinyl-6-(pyridin-2-yl)-1,3,5-triazin-2-amine
• Synonyms: 2-Amino-4-hydrazino-6-pyridin-2-yl-1,3,5-triazine

Database IDs

• CAS Number: 175204-69-0
• MDL Number: MFCD00052758
• PubChem SID: 162071562
• PubChem CID: 608952

CALCULATED PROPERTIES

• Acid pKa: 14.708801
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): 0.28717592
• LogD (pH = 7.4): 1.0696838
• Log P: 1.1175791
• Molar Refractivity: 69.7029 cm^3
• Polarizability: 20.752605 Å^3
• Polar Surface Area: 115.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant