ethyl 5-methyl-1,2,4-triazine-6-carboxylate

• ChemBase ID: 801518
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: n1ncnc(c1C(=O)OCC)C
• Canonical SMILES: CCOC(=O)c1nncnc1C
• InChI: InChI=1S/C7H9N3O2/c1-3-12-7(11)6-5(2)8-4-9-10-6/h4H,3H2,1-2H3
• InChIKey: KUBNLLNKIHSZHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-methyl-1,2,4-triazine-6-carboxylate
• IUPAC Traditional name: ethyl 5-methyl-1,2,4-triazine-6-carboxylate
• Synonyms: ETHYL 5-METHYL-1,2,4-TRIAZINE-6-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.25252914
• LogD (pH = 7.4): -0.25252908
• Log P: -0.25252908
• Molar Refractivity: 43.579 cm^3
• Polarizability: 15.779957 Å^3
• Polar Surface Area: 64.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%