[1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine

• ChemBase ID: 60273
• Molecular Formular: C5H6N6
• Molecular Mass: 150.14134
• Monoisotopic Mass: 150.06539422
• SMILES: n12nc(ccc1nnc2)NN
• Canonical SMILES: NNc1ccc2n(n1)cnn2
• InChI: InChI=1S/C5H6N6/c6-8-4-1-2-5-9-7-3-11(5)10-4/h1-3H,6H2,(H,8,10)
• InChIKey: KHYHMEVBVZNXLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine
• IUPAC Traditional name: [1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine
• Synonyms: 6-hydrazinyl-[1,2,4]triazolo[4,3-b]pyridazine; [1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine; 6-Hydrazino[1,2,4]triazolo[4,3-b]pyridazine

Database IDs

• CAS Number: 7229-00-7
• MDL Number: MFCD01219688
• PubChem SID: 162026014
• PubChem CID: 4264519

CALCULATED PROPERTIES

• Acid pKa: 18.448868
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.32483646
• LogD (pH = 7.4): -0.3214226
• Log P: -0.3213789
• Molar Refractivity: 54.01 cm^3
• Polarizability: 14.135299 Å^3
• Polar Surface Area: 81.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.514

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%