7-ethenyl-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine

• ChemBase ID: 179929
• Molecular Formular: C10H12N4
• Molecular Mass: 188.22908
• Monoisotopic Mass: 188.1061964
• SMILES: CCc1nn2c(cc(C=C)nc2C)n1
• Canonical SMILES: CCc1nn2c(n1)cc(nc2C)C=C
• InChI: InChI=1S/C10H12N4/c1-4-8-6-10-12-9(5-2)13-14(10)7(3)11-8/h4,6H,1,5H2,2-3H3
• InChIKey: YXJSOFZXUUPNIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethenyl-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
• IUPAC Traditional name: 7-ethenyl-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine

Database IDs

• PubChem SID: 164235839
• PubChem CID: 71753060

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5711646
• LogD (pH = 7.4): 2.571409
• Log P: 2.571412
• Molar Refractivity: 65.8789 cm^3
• Polarizability: 20.38726 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true