2-Ethyl-3,5-dimethypyrazine
precursor
Showing entry for 2-Ethyl-3,5-dimethypyrazine
Identification
- PhytoHub ID
- PHUB002520
- Name
- 2-Ethyl-3,5-dimethypyrazine
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 136.198
- Monoisotopic Mass
- 136.100048394
- Chemical Formula
- C8H12N2
- IUPAC Name
- 2-ethyl-3,5-dimethylpyrazine
- InChI Key
- JZBCTZLGKSYRSF-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
- SMILES
CCC1=C(C)N=C(C)C=N1
- Structure
Structure for 2-Ethyl-3,5-dimethypyrazine
Calculated Properties
- Solubility (ALOGPS)
- 2.15e+01 g/l
- LogS (ALOGPS)
- -0.80
- LogP (ALOGPS)
- 1.59
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 25.78
- Refractivity
- 40.145599999999995
- Polarizability
- 15.876878569726927
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 2.0188851388263607
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Not Available
- Class
- Not Available
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Coffee | Coffee and coffee products | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available