4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine

• ChemBase ID: 84430
• Molecular Formular: C4H8N6
• Molecular Mass: 140.14652
• Monoisotopic Mass: 140.08104429
• SMILES: n1c(nc(nc1N)C)NN
• Canonical SMILES: NNc1nc(C)nc(n1)N
• InChI: InChI=1S/C4H8N6/c1-2-7-3(5)9-4(8-2)10-6/h6H2,1H3,(H3,5,7,8,9,10)
• InChIKey: BKPMVMXSQLPERF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine
• Synonyms: 4-hydrazino-6-methyl-1,3,5-triazin-2-amine

Database IDs

• CAS Number: 27419-09-6
• MDL Number: MFCD00052761
• PubChem SID: 162071546
• PubChem CID: 2782085

CALCULATED PROPERTIES

• Acid pKa: 15.036453
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.9923067
• LogD (pH = 7.4): -0.9221978
• Log P: 0.12089357
• Molar Refractivity: 41.4451 cm^3
• Polarizability: 13.1893215 Å^3
• Polar Surface Area: 102.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true