2-Methyl-3-propylpyrazine
PubChem CID: 85224
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| Compound Synonyms | 2-Methyl-3-propylpyrazine, 15986-80-8, 2-Methyl-3-n-propylpyrazine, Pyrazine, 2-methyl-3-propyl-, 2-Methyl-3-propyl-pyrazine, 2-Propyl-3-methylpyrazine, 3-Propyl-2-methylpyrazine, 3-Propyl-2-methyl pyrazine, EINECS 240-121-8, DTXSID8051758, XAWKNALRUSOTOY-UHFFFAOYSA-, methylpropylpyrazine, MFCD00010096, 2-methyl-3-propyl pyrazine, CHEMBL95176, SCHEMBL294405, DTXCID1030313, CHEBI:193646, AKOS005256496, AS-76021, DB-116863, M0841, NS00053277, D91392, 240-121-8 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Flavour component of cooked foods |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-3-propylpyrazine |
| Prediction Hob | 1.0 |
| Class | Diazines |
| Xlogp | 1.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Molecular Formula | C8H12N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XAWKNALRUSOTOY-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Methyl-3-n-propylpyrazine, 2-Methyl-3-propyl-pyrazine, 2-Propyl-3-methylpyrazine, 3-Propyl-2-methyl pyrazine, 3-Propyl-2-methylpyrazine, Pyrazine, 2-methyl-3-propyl- |
| Substituent Name | Pyrazine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Compound Name | 2-Methyl-3-propylpyrazine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9855275999999997 |
| Inchi | InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3 |
| Smiles | CCCC1=NC=CN=C1C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients