3-sec-Butyl-2-methoxy-5-methylpyrazine
PubChem CID: 15590167
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| Compound Synonyms | 94344-70-4, 3-(sec-Butyl)-2-methoxy-5-methylpyrazine, 3-sec-Butyl-2-methoxy-5-methylpyrazine, 3-butan-2-yl-2-methoxy-5-methylpyrazine, 3-(Butan-2-yl)-2-methoxy-5-methylpyrazine, 2-METHOXY-5-METHYL-3-(1-METHYLPROPYL)PYRAZINE, Pyrazine, 2-methoxy-5-methyl-3-(1-methylpropyl)- (9CI), DTXSID50575258, VPZHXSRAUPOUQO-UHFFFAOYSA-N, UDA34470, 3-s-butyl-2-methoxy-5-methyl pyrazine, DB-344019, F11692, PYRAZINE, 2-METHOXY-5-METHYL-3-(1-METHYLPROPYL)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyrazine and Piperazine alkaloids |
| Deep Smiles | CCCcncC)cnc6OC))))))))C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Diazines |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Pyrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-butan-2-yl-2-methoxy-5-methylpyrazine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16N2O |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Inchi Key | VPZHXSRAUPOUQO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | pyrazine,3-sec.butyl-2-methoxy-5-methyl |
| Esol Class | Soluble |
| Functional Groups | cOC, cnc |
| Compound Name | 3-sec-Butyl-2-methoxy-5-methylpyrazine |
| Exact Mass | 180.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16N2O/c1-5-7(2)9-10(13-4)11-6-8(3)12-9/h6-7H,5H2,1-4H3 |
| Smiles | CCC(C)C1=NC(=CN=C1OC)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 |
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