Pentylpyrazine
PubChem CID: 80551
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| Compound Synonyms | Pentylpyrazine, 2-Pentylpyrazine, n-Pentylpyrazine, 6303-75-9, n-Amylpyrazine, pentyl pyrazine, Pyrazine, pentyl-, Y68H0XHI2R, 2-n-Pentylpyrazine, AMYL PYRAZINE, NSC 42876, NSC-42876, UNII-Y68H0XHI2R, DTXSID50978947, EINECS 228-604-1, 2-Pentyl-pyrazine, NSC42876, CHEMBL330081, SCHEMBL1325052, DTXCID001406251, AKOS024348813, DB-087620, NS00044166, Q27294309, 228-604-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyrazine and Piperazine alkaloids, Pyridine alkaloids |
| Deep Smiles | CCCCCccnccn6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Diazines |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Pyrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-pentylpyrazine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14N2 |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Inchi Key | KNDDHUQSPNJCKY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-pentylpyrazine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | Pentylpyrazine |
| Exact Mass | 150.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.22 |
| 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/C9H14N2/c1-2-3-4-5-9-8-10-6-7-11-9/h6-8H,2-5H2,1H3 |
| Smiles | CCCCCC1=NC=CN=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids, Tetramate alkaloids, Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100408