3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-
3-benzyl-4-butyl-1H-1,2,4-triazol-5-one
Also Known As: 3-benzyl-4-butyl-1H-1,2,4-triazol-5-one|3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-|5-Benzyl-4-butyl-2,4-dihydro-3H-1,2,4-triazol-3-one|3H-1,2,4-Triazol-3-one,4-butyl-2,4-dihydro-5-(phenylmethyl)
CAS: 85562-84-1
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.13716 g/mol |
| LogP | 1.9623 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.13716 |
| Monoisotopic Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 512.9609 |
Chemical Identifiers
| CAS Number | 85562-84-1 |
|---|---|
| SMILES | CCCCN1C(=NNC1=O)CC2=CC=CC=C2 |
Product Overview
3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- (CAS 85562-84-1), with molecular formula C13H17N3O and molecular weight 231.13716 g/mol. IUPAC: 3-benzyl-4-butyl-1H-1,2,4-triazol-5-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- is a custom synthesis product. We offer services from milligram to kilogram scale.
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