5,6-dimethyl-3-(pyridin-2-yl)-1,2,4-triazine

• ChemBase ID: 302702
• Molecular Formular: C10H10N4
• Molecular Mass: 186.2132
• Monoisotopic Mass: 186.09054634
• SMILES: Cc1c(nnc(n1)c1ccccn1)C
• Canonical SMILES: Cc1nnc(nc1C)c1ccccn1
• InChI: InChI=1S/C10H10N4/c1-7-8(2)13-14-10(12-7)9-5-3-4-6-11-9/h3-6H,1-2H3
• InChIKey: NAFPPMVYCAHBAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-3-(pyridin-2-yl)-1,2,4-triazine
• IUPAC Traditional name: 5,6-dimethyl-3-(pyridin-2-yl)-1,2,4-triazine
• Synonyms: 5,6-Dimethyl-3-(2-pyridyl)-1,2,4-triazine; 5,6-二甲基-3-(2-吡啶基)-1,2,4-三嗪

Database IDs

• MDL Number: MFCD09909574

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.81721115
• LogD (pH = 7.4): 0.817244
• Log P: 0.8172444
• Molar Refractivity: 64.6508 cm^3
• Polarizability: 20.575846 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84-86°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%