4-Methyl-3-Oxo-4-(1H-1,2,4-Triazol-1-Yl)Pentanenitrile
[CAS# 320420-58-4]

Identification

• Name: 4-Methyl-3-Oxo-4-(1H-1,2,4-Triazol-1-Yl)Pentanenitrile
• Synonyms: 4-methyl-3-oxo-4-(1H-1,2,4-triazol-1-yl)pentanenitrile; MFCD00202122; ZINC01397207
• Molecular Formula: C₈H₁₀N₄O
• Molecular Weight: 178.19
• CAS Registry Number: 320420-58-4
• SMILES: N#CCC(=O)C(n1ncnc1)(C)C
• InChI: 1S/C8H10N4O/c1-8(2,7(13)3-4-9)12-6-10-5-11-12/h5-6H,3H2,1-2H3
• InChIKey: YMDOZOMKYTXVNY-UHFFFAOYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 335.046°C at 760 mmHg (Cal.)
• Flash point: 156.43°C (Cal.)
• Refractive index: 1.576 (Cal.)