1-[5-(hydroxymethyl)-4-methyl-3-oxo-1H-pyrazin-2-ylidene]guanidine
CNP0603902.0 · C7H11N5O2 · View on COCONUT ↗
Identifiers
| Name | 1-[5-(hydroxymethyl)-4-methyl-3-oxo-1H-pyrazin-2-ylidene]guanidine |
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| IUPAC Name | 1-[5-(hydroxymethyl)-4-methyl-3-oxo-1~{H}-pyrazin-2-ylidene]guanidine |
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| COCONUT ID | CNP0603902.0 |
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| InChIKey | XZOSNHNAQRVGSZ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C7H11N5O2/c1-12-4(3-13)2-10-5(6(12)14)11-7(8)9/h2,13H,3H2,1H3,(H4,8,9,10,11) |
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| SMILES | CN1C(CO)=CNC(=NC(=N)N)C1=O |
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Properties
| Molecular Formula | C7H11N5O2 |
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| Molecular Weight | 197.20 |
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| Exact Mass | 197.09127 |
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| Log P (ALogP) | -2.00 |
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| TPSA | 120.25 |
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| H-Bond Donors / Acceptors | 4 / 4 |
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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 | 0.31 |
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| NP-likeness | -0.04 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Pseudoalkaloids |
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| NP Class | |
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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.
