pyridine-2,3,4-triamine

• ChemBase ID: 803940
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: n1c(c(c(cc1)N)N)N
• Canonical SMILES: Nc1c(N)ccnc1N
• InChI: InChI=1S/C5H8N4/c6-3-1-2-9-5(8)4(3)7/h1-2H,7H2,(H4,6,8,9)
• InChIKey: APXBXAJWVZTKSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,3,4-triamine
• IUPAC Traditional name: pyridine-2,3,4-triamine
• Synonyms: PYRIDINE-2,3,4-TRIAMINE

Database IDs

• CAS Number: 52559-11-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.6269572
• LogD (pH = 7.4): -2.6069932
• Log P: -1.136747
• Molar Refractivity: 38.3158 cm^3
• Polarizability: 12.856492 Å^3
• Polar Surface Area: 90.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%