Pyrazine, 1,4-dioxide
PubChem CID: 520103
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| Compound Synonyms | Pyrazine, 1,4-dioxide, Pyrazine 1,4-dioxide, 2423-84-9, 4-oxidopyrazin-1-ium 1-oxide, PYRAZINE-N,N'-DIOXIDE, Pyrazine N,N'-dioxide, Pyrazine dioxide, Pyrazine di-N-oxide, SCHEMBL2700184, DTXSID10178926, AKOS030241269, DB-266667, G77666, Q63399630, Pyrazine, 1,4-dioxide, Pyrazine dioxide (6CI), Pyrazine N,N'-dioxide, Pyrazine di-N-oxide, Pyrazine 1,4-dioxide |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | [O-]NC=C[N+]=O)C=C6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organic oxoazanium compounds |
| Scaffold Graph Node Level | ON1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-oxidopyrazin-1-ium 1-oxide |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H4N2O2 |
| Scaffold Graph Node Bond Level | O=[n+]1cc[nH]cc1 |
| Inchi Key | SXTKIFFXFIDYJF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | pyrazine,1,4-dioxide |
| Esol Class | Very soluble |
| Functional Groups | c[n+](c)=O, cn(c)[O-] |
| Compound Name | Pyrazine, 1,4-dioxide |
| Exact Mass | 112.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.027 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 112.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H4N2O2/c7-5-1-2-6(8)4-3-5/h1-4H |
| Smiles | C1=C[N+](=O)C=CN1[O-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643935