2-Isopropyl-5-[(1E)-1-propen-1-yl]-1,2-dihydro-3H-1,2,4-triazol-3-one
[CAS# 76954-90-0]

Identification

• Name: 2-Isopropyl-5-[(1E)-1-propen-1-yl]-1,2-dihydro-3H-1,2,4-triazol-3-one
• Synonyms: (E)-2-isopropyl-5-(prop-1-en-1-yl)-1H-1,2,4-triazol-3(2H)-one
• Molecular Formula: C₈H₁₃N₃O
• Molecular Weight: 167.21
• CAS Registry Number: 76954-90-0
• SMILES: C/C=C/c1[nH]n(c(=O)n1)C(C)C
• InChI: 1S/C8H13N3O/c1-4-5-7-9-8(12)11(10-7)6(2)3/h4-6H,1-3H3,(H,9,10,12)/b5-4+
• InChIKey: FYANOSCEWNETIN-SNAWJCMRSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 215.36°C at 760 mmHg (Cal.)
• Flash point: 84.047°C (Cal.)