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

• ChemBase ID: 86501
• Molecular Formular: C4H7N5O
• Molecular Mass: 141.13128
• Monoisotopic Mass: 141.06505987
• SMILES: n1c(nnc(c1O)C)NN
• Canonical SMILES: NNc1nnc(c(n1)O)C
• InChI: InChI=1S/C4H7N5O/c1-2-3(10)6-4(7-5)9-8-2/h5H2,1H3,(H2,6,7,9,10)
• InChIKey: HPMIPGOOYMVAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-6-methyl-1,2,4-triazin-5-ol
• IUPAC Traditional name: 3-hydrazinyl-6-methyl-1,2,4-triazin-5-ol
• Synonyms: 3-hydrazino-6-methyl-1,2,4-triazin-5-ol; 3-Hydrazino-6-methyl-[1,2,4]triazin-5-ol

Database IDs

• CAS Number: 38736-23-1
• MDL Number: MFCD00662639
• PubChem SID: 162073617
• PubChem CID: 1382741

CALCULATED PROPERTIES

• Acid pKa: 11.637568
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.7138385
• LogD (pH = 7.4): -0.46824276
• Log P: -0.43734348
• Molar Refractivity: 39.1242 cm^3
• Polarizability: 12.712449 Å^3
• Polar Surface Area: 96.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.54847

Product Information

• Purity: 95+%