1-Isopropyl-2,5-Dimethyl-1,2-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 156519-93-6]

Identification

• Name: 1-Isopropyl-2,5-Dimethyl-1,2-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 1-isopropyl-2,5-dimethyl-1H-1,2,4-triazol-3(2H)-one
• Molecular Formula: C₇H₁₃N₃O
• Molecular Weight: 155.20
• CAS Registry Number: 156519-93-6
• SMILES: Cc1nc(=O)n(n1C(C)C)C
• InChI: 1S/C7H13N3O/c1-5(2)10-6(3)8-7(11)9(10)4/h5H,1-4H3
• InChIKey: VMXKXIZTVZPNMJ-UHFFFAOYSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 182.977°C at 760 mmHg (Cal.)
• Flash point: 64.462°C (Cal.)
• Refractive index: 1.547 (Cal.)