1-(6-Methylpyrazin-2-yl)ethan-1-one
PubChem CID: 527821
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 22047-26-3, 1-(6-methylpyrazin-2-yl)ethanone, 1-(6-Methyl-2-pyrazinyl)ethanone, Ethanone, 1-(6-methylpyrazinyl)-, 2-Acetyl-6-methylpyrazine, 1-(6-methylpyrazin-2-yl)ethan-1-one, 1-(6-Methyl-2-pyrazinyl)-1-ethanone, 6-Methyl-2-acetylpyrazine, 2-Acetyl-6-methylpyrazin, 2-Methyl-6-acetylpyrazine, 2-acetyl-6-methyl pyrazine, Pyrazine, 2-acetyl-6-methyl, Pyrazine, 6-acetyl-2-methyl, SCHEMBL10307337, DTXSID40335904, 1-(6-Methyl-2-pyranizyl)-1-ethanone, DB-086490, NS00113778, EN300-7196341, 866-192-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyrazine and Piperazine alkaloids |
| Deep Smiles | Cccnccn6)C=O)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(6-methylpyrazin-2-yl)ethanone |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8N2O |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Inchi Key | YVSDZDUKXQLFLV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-acetyl-6-methylpyrazine |
| Esol Class | Very soluble |
| Functional Groups | cC(C)=O, cnc |
| Compound Name | 1-(6-Methylpyrazin-2-yl)ethan-1-one |
| Exact Mass | 136.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.064 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 136.15 |
| 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/C7H8N2O/c1-5-3-8-4-7(9-5)6(2)10/h3-4H,1-2H3 |
| Smiles | CC1=CN=CC(=N1)C(=O)C |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tetramate alkaloids, Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245