1.0 2010-04-08 22:06:14 UTC 2025-11-18 22:56:16 UTC FDB004429 5-Methyl-2-ethyl-pyrazine 2-ethyl-5-methylpyrazine, 9ci, 8ci, also known as 2,5-methylethylpyrazine or fema 3154, is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2-ethyl-5-methylpyrazine, 9ci, 8ci is soluble (in water) and a moderately basic compound (based on its pKa). 2-ethyl-5-methylpyrazine, 9ci, 8ci is a sweet, bean, and coffee tasting compound and can be found in a number of food items such as cereals and cereal products, fenugreek, coffee and coffee products, and tea, which makes 2-ethyl-5-methylpyrazine, 9ci, 8ci a potential biomarker for the consumption of these food products. C7H10N2 122.171 122.08439833 2-ethyl-5-methylpyrazine pyrazine, 2-ethyl-5-methyl- 13360-64-0 CCC1=CN=C(C)C=N1 InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3 OXCKCFJIKRGXMM-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazine logp 1.18 ALOGPS logs -0.20 ALOGPS solubility 7.72e+01 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_basic 1.48 ChemAxon iupac 2-ethyl-5-methylpyrazine ChemAxon average_mass 122.171 ChemAxon mono_mass 122.08439833 ChemAxon smiles CCC1=CN=C(C)C=N1 ChemAxon formula C7H10N2 ChemAxon inchi InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3 ChemAxon inchikey OXCKCFJIKRGXMM-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 35.55 ChemAxon polarizability 13.87 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1811 Specdb::CMs 17514 Specdb::CMs 171511 Specdb::MsIr 9306 Specdb::MsIr 9307 Specdb::MsMs 46026 Specdb::MsMs 46027 Specdb::MsMs 46028 Specdb::MsMs 134109 Specdb::MsMs 134110 Specdb::MsMs 134111 Specdb::MsMs 3045088 Specdb::MsMs 3045089 Specdb::MsMs 3045090 Specdb::MsMs 3094621 Specdb::MsMs 3094622 Specdb::MsMs 3094623 Specdb::NmrOneD 47522 Specdb::NmrOneD 47523 Specdb::NmrOneD 47524 Specdb::NmrOneD 47525 Specdb::NmrOneD 47526 Specdb::NmrOneD 47527 Specdb::NmrOneD 47528 Specdb::NmrOneD 47529 Specdb::NmrOneD 47530 Specdb::NmrOneD 47531 Specdb::NmrOneD 47532 Specdb::NmrOneD 47533 Specdb::NmrOneD 47534 Specdb::NmrOneD 47535 Specdb::NmrOneD 47536 Specdb::NmrOneD 47537 Specdb::NmrOneD 47538 Specdb::NmrOneD 47539 Specdb::NmrOneD 47540 Specdb::NmrOneD 47541 HMDB0041568 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 fruit sweet