![N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-2-pyrimidinamine](/api/spectrum/Gps0X3sc2pk/structure.png?h=300&w=458 "N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-2-pyrimidinamine")
| SpectraBase Compound ID | Cvhd7ocjvhF |
|---|---|
| InChI | InChI=1S/C14H13ClN6/c1-8-6-9(2)17-13(16-8)19-14-18-12(20-21-14)10-4-3-5-11(15)7-10/h3-7H,1-2H3,(H2,16,17,18,19,20,21) |
| InChIKey | BCJIIYRFKSPLET-UHFFFAOYSA-N |
| Mol Weight | 300.75 g/mol |
| Molecular Formula | C14H13ClN6 |
| Exact Mass | 300.089022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gps0X3sc2pk |
|---|---|
| Name | N-[5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-2-pyrimidinamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.089022143 u |
| Formula | C14H13ClN6 |
| InChI | InChI=1S/C14H13ClN6/c1-8-6-9(2)17-13(16-8)19-14-18-12(20-21-14)10-4-3-5-11(15)7-10/h3-7H,1-2H3,(H2,16,17,18,19,20,21) |
| InChIKey | BCJIIYRFKSPLET-UHFFFAOYSA-N |
| SMILES | N1N=C(N=C1C1=CC(Cl)=CC=C1)NC=1N=C(C)C=C(N1)C |