2-Butyl-3-methylpyrazine
PubChem CID: 85228
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| Compound Synonyms | 2-Butyl-3-methylpyrazine, 15987-00-5, 2-n-Butyl-3-methylpyrazine, Pyrazine, 2-butyl-3-methyl-, SLG6RBP4ZT, EINECS 240-126-5, UNII-SLG6RBP4ZT, DTXSID0065987, IRSIKJPEFMMRHD-UHFFFAOYSA-, 2-METHYL-3-BUTYL-PYRAZINE, MFCD00038031, 2-Methyl-3- butylpyrazine, SCHEMBL293872, DTXCID2035146, 2-METHYL-3-BUTYLPYRAZINE, 2-BUTYL-3-METHYL PYRAZINE, AKOS015839703, AS-10574, DB-116654, B1173, CS-0324258, NS00021713 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-butyl-3-methylpyrazine |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C9H14N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IRSIKJPEFMMRHD-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -4.924 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.923 |
| Compound Name | 2-Butyl-3-methylpyrazine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3000313636363643 |
| Inchi | InChI=1S/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3 |
| Smiles | CCCCC1=NC=CN=C1C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients