| SpectraBase Compound ID | Li5VHX2uCzx |
|---|---|
| InChI | InChI=1S/C10H13N5O/c1-11-9-13-10(15-14-9)12-7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H3,11,12,13,14,15) |
| InChIKey | PQRTVLVHJUGIOS-UHFFFAOYSA-N |
| Mol Weight | 219.25 g/mol |
| Molecular Formula | C10H13N5O |
| Exact Mass | 219.11201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSDlTlKIK0Y |
|---|---|
| Name | 4H-1,2,4-Triazole-3,5-diamine, N3-(4-methoxyphenyl)-N5-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.112010058 u |
| Formula | C10H13N5O |
| InChI | InChI=1S/C10H13N5O/c1-11-9-13-10(15-14-9)12-7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H3,11,12,13,14,15) |
| InChIKey | PQRTVLVHJUGIOS-UHFFFAOYSA-N |
| Molecular Weight | 219.248 g/mol |
| SMILES | CNC1=NN=C(N1)NC1=CC=C(C=C1)OC |