![4-[(5-Amino-1-benzyl-1,2,4-triazol-3-yl)amino]pent-3-en-2-one](/api/spectrum/Bf2AmhllcEh/structure.png?h=300&w=458 "4-[(5-Amino-1-benzyl-1,2,4-triazol-3-yl)amino]pent-3-en-2-one")
| SpectraBase Compound ID | BUa8N6UKQ6P |
|---|---|
| InChI | InChI=1S/C14H17N5O/c1-10(8-11(2)20)16-14-17-13(15)19(18-14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H3,15,16,17,18)/b10-8- |
| InChIKey | YLMMJNSVFQSLJI-NTMALXAHSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C14H17N5O |
| Exact Mass | 271.14331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bf2AmhllcEh |
|---|---|
| Name | 4-[(5-Amino-1-benzyl-1,2,4-triazol-3-yl)amino]pent-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.143310186 u |
| Formula | C14H17N5O |
| InChI | InChI=1S/C14H17N5O/c1-10(8-11(2)20)16-14-17-13(15)19(18-14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H3,15,16,17,18)/b10-8- |
| InChIKey | YLMMJNSVFQSLJI-NTMALXAHSA-N |
| SMILES | C1=CC=CC=C1CN1N=C(N\C(=C/C(C)=O)C)N=C1N |