2-Ethenyl-6-methylpyrazine
CNP0169633.0 · C7H8N2 · View on COCONUT ↗
Identifiers
| Name | 2-Ethenyl-6-methylpyrazine |
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| IUPAC Name | 2-methyl-6-vinyl-pyrazine |
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| COCONUT ID | CNP0169633.0 |
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| CAS | 13925-09-2 |
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| InChIKey | KZXOOWGVLDEHDT-UHFFFAOYSA-N |
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| InChI | InChI=1S/C7H8N2/c1-3-7-5-8-4-6(2)9-7/h3-5H,1H2,2H3 |
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| SMILES | C=CC1=CN=CC(C)=N1 |
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Properties
| Molecular Formula | C7H8N2 |
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| Molecular Weight | 120.15 |
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| Exact Mass | 120.06875 |
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| Log P (ALogP) | 1.43 |
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| TPSA | 25.78 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.56 |
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| NP-likeness | -0.48 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Peptide alkaloids |
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| NP Class | Pyrazine and Piperazine alkaloids |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Diazines |
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| Chemical Subclass | Pyrazines |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
