5-Isopropyl-4-Propyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 135301-62-1]

Identification

• Name: 5-Isopropyl-4-Propyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 3-isopropyl-4-propyl-1H-1,2,4-triazol-5(4H)-one
• Molecular Formula: C₈H₁₅N₃O
• Molecular Weight: 169.22
• CAS Registry Number: 135301-62-1
• SMILES: CCCn1c(n[nH]c1=O)C(C)C
• InChI: 1S/C8H15N3O/c1-4-5-11-7(6(2)3)9-10-8(11)12/h6H,4-5H2,1-3H3,(H,10,12)
• InChIKey: QETPBAIQNQAQFA-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Refractive index: 1.553 (Cal.)

References

• (1): Y. Köysal, S. Isik, K. Sancak and Y. Ãœnver. 3,3'-Diisopropyl-4,4'-(hexane-1,6-diyl)bis[1H-1,2,4-triazol-5(4H)-one] dihydrate, Acta Cryst. (2006). E62, o3907-o3909