1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
Also Known As: Oprea1_075360|Oprea1_678835|BAS 00924227|AK-968/11842046|SR-01000551056-1|1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone|1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-[1,2,4]triazol-1-yl)-ethanone|1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanone|2-({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)-1,2,3,4-tetrahydroisoquinoline|2-(3-nitro(1,2,4-triazolyl))-1-(2-1,2,3,4-tetrahydroisoquinolyl)ethan-1-one|2-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-1-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHAN-1-ONE
| Molecular Formula | C13H13N5O3 |
|---|---|
| Molecular Weight | 287.10184 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.10184 |
| Monoisotopic Mass | 287.10184 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 313248-79-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN3C=NC(=N3)[N+](=O)[O-] |
| InChIKey | WZLPFDQQFLAJME-UHFFFAOYSA-N |
Product Overview
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone (CAS 313248-79-2), with molecular formula C13H13N5O3 and molecular weight 287.10184 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone.