6-bromo-N,N-dimethyl-1,2,4-triazin-3-amine

• ChemBase ID: 801502
• Molecular Formular: C5H7BrN4
• Molecular Mass: 203.03988
• Monoisotopic Mass: 201.98540824
• SMILES: n1nc(ncc1Br)N(C)C
• Canonical SMILES: Brc1cnc(nn1)N(C)C
• InChI: InChI=1S/C5H7BrN4/c1-10(2)5-7-3-4(6)8-9-5/h3H,1-2H3
• InChIKey: OAVJJUGIGGXABG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N,N-dimethyl-1,2,4-triazin-3-amine
• IUPAC Traditional name: 6-bromo-N,N-dimethyl-1,2,4-triazin-3-amine
• Synonyms: 6-BROMO-N,N-DIMETHYL-1,2,4-TRIAZIN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8310681
• LogD (pH = 7.4): 0.83107
• Log P: 0.83107
• Molar Refractivity: 45.4252 cm^3
• Polarizability: 15.555828 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%