pyridine-2,4,5-triamine

• ChemBase ID: 802224
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: n1c(cc(c(c1)N)N)N
• Canonical SMILES: Nc1ncc(c(c1)N)N
• InChI: InChI=1S/C5H8N4/c6-3-1-5(8)9-2-4(3)7/h1-2H,7H2,(H4,6,8,9)
• InChIKey: CZIIDUIQNLSXOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,4,5-triamine
• IUPAC Traditional name: pyridine-2,4,5-triamine
• Synonyms: 2,4,5-TRIAMINOPYRIDINE

Database IDs

• CAS Number: 23244-87-3

CALCULATED PROPERTIES

• Polarizability: 12.855153 Å^3
• Polar Surface Area: 90.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.6269841
• LogD (pH = 7.4): -2.6088092
• Log P: -1.136747
• Molar Refractivity: 38.3158 cm^3

PROPERTIES

Product Information

• Purity: 98%