4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine

• ChemBase ID: 33273
• Molecular Formular: C15H18N8
• Molecular Mass: 310.35702
• Monoisotopic Mass: 310.16544262
• SMILES: c1(n2nc(cc2C)C)nc(nc(n1)NN)Nc1ccc(cc1)C
• Canonical SMILES: NNc1nc(Nc2ccc(cc2)C)nc(n1)n1nc(cc1C)C
• InChI: InChI=1S/C15H18N8/c1-9-4-6-12(7-5-9)17-13-18-14(21-16)20-15(19-13)23-11(3)8-10(2)22-23/h4-8H,16H2,1-3H3,(H2,17,18,19,20,21)
• InChIKey: JETZCPFPSUXJIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-(3,5-dimethylpyrazol-1-yl)-6-hydrazinyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
• Synonyms: 4-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-hydrazino-N-(4-methylphenyl)-1,3,5-triazin-2-amine

Database IDs

• MDL Number: MFCD02255692
• PubChem SID: 160996580
• PubChem CID: 25219137

CALCULATED PROPERTIES

• Acid pKa: 13.136428
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): 2.2185388
• LogD (pH = 7.4): 3.4997532
• Log P: 3.6538298
• Molar Refractivity: 93.6966 cm^3
• Polarizability: 32.65693 Å^3
• Polar Surface Area: 106.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false