6-chloro-3,5-dimethyl-1,2,4-triazine

• ChemBase ID: 801513
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: n1nc(nc(c1Cl)C)C
• Canonical SMILES: Cc1nnc(c(n1)C)Cl
• InChI: InChI=1S/C5H6ClN3/c1-3-5(6)9-8-4(2)7-3/h1-2H3
• InChIKey: WVLQVXKALXPXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3,5-dimethyl-1,2,4-triazine
• IUPAC Traditional name: 6-chloro-3,5-dimethyl-1,2,4-triazine
• Synonyms: 6-CHLORO-3,5-DIMETHYL-1,2,4-TRIAZINE

Database IDs

• CAS Number: 1260664-76-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.477407
• LogD (pH = 7.4): 0.4774187
• Log P: 0.47741884
• Molar Refractivity: 37.6676 cm^3
• Polarizability: 13.216051 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%