![1H-1,2,4-triazol-5-amine, 3-[6-(5-amino-4H-1,2,4-triazol-3-yl)hexyl]-](/api/spectrum/2DCrQeRI6q/structure.png?h=300&w=458 "1H-1,2,4-triazol-5-amine, 3-[6-(5-amino-4H-1,2,4-triazol-3-yl)hexyl]-")
| SpectraBase Compound ID | K8bTZ4lSj09 |
|---|---|
| InChI | InChI=1S/C10H18N8/c11-9-13-7(15-17-9)5-3-1-2-4-6-8-14-10(12)18-16-8/h1-6H2,(H3,11,13,15,17)(H3,12,14,16,18) |
| InChIKey | GFIDVFDVBPKVEL-UHFFFAOYSA-N |
| Mol Weight | 250.31 g/mol |
| Molecular Formula | C10H18N8 |
| Exact Mass | 250.165443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DCrQeRI6q |
|---|---|
| Name | 1H-1,2,4-Triazol-5-amine, 3-[6-(5-amino-4H-1,2,4-triazol-3-yl)hexyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.165442612 u |
| Formula | C10H18N8 |
| InChI | InChI=1S/C10H18N8/c11-9-13-7(15-17-9)5-3-1-2-4-6-8-14-10(12)18-16-8/h1-6H2,(H3,11,13,15,17)(H3,12,14,16,18) |
| InChIKey | GFIDVFDVBPKVEL-UHFFFAOYSA-N |
| Molecular Weight | 250.310 g/mol |
| SMILES | C1(N)=NC(CCCCCCC2=NN=C(N2)N)=NN1 |