3-[(3-Amino-1H-1,2,4-triazol-5-yl)amino]azepan-2-one
4536
Reference
3-[(3-Amino-1H-1,2,4-triazol-5-yl)amino]azepan-2-one Structure
Systematic / IUPAC Name: 3-[(5-Amino-1H-1,2,4-triazol-3-yl)amino]-2-azepanone
ID: Reference4536
Other Names: 2H-Azepin-2-one, 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexahydro-
Formula: C8H14N6O
Spectral Data
3-[(3-Amino-1H-1,2,4-triazol-5-yl)amino]azepan-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 227 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/13/2016 10:12:25 AM |
Identificators
| InChI | InChI=1S/C8H14N6O/c9-7-12-8(14-13-7)11-5-3-1-2-4-10-6(5)15/h5H,1-4H2,(H,10,15)(H4,9,11,12,13,14) |
| InChI Key | HCQGCDGUHVAKKY-UHFFFAOYSA-N |
| Canonical SMILES | C1CCNC(=O)C(C1)NC2=NNC(=N2)N |
| CAS | |
| Splash | |
| Other Names | 2H-Azepin-2-one, 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexahydro- |