1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:45 UTC FDB019661 2,5-Diethyl-3,6-dimethylpyrazine Constituent of cooked beef and roast coffee aroma. Maillard product. 2,5-Diethyl-3,6-dimethylpyrazine is found in coffee and coffee products and animal foods. C10H16N2 164.2474 164.131348522 2,5-diethyl-3,6-dimethylpyrazine 2,5-diethyl-3,6-dimethylpyrazine 18903-30-5 CCC1=NC(C)=C(CC)N=C1C InChI=1S/C10H16N2/c1-5-9-7(3)12-10(6-2)8(4)11-9/h5-6H2,1-4H3 WOKWCTYNOKUPRA-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 2.61 ALOGPS logs -1.88 ALOGPS solubility 2.17e+00 g/l ALOGPS logp 1.46 ChemAxon pka_strongest_basic 1.98 ChemAxon iupac 2,5-diethyl-3,6-dimethylpyrazine ChemAxon average_mass 164.2474 ChemAxon mono_mass 164.131348522 ChemAxon smiles CCC1=NC(C)=C(CC)N=C1C ChemAxon formula C10H16N2 ChemAxon inchi InChI=1S/C10H16N2/c1-5-9-7(3)12-10(6-2)8(4)11-9/h5-6H2,1-4H3 ChemAxon inchikey WOKWCTYNOKUPRA-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 49.36 ChemAxon polarizability 19.86 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13850 Specdb::CMs 146368 Specdb::MsMs 296545 Specdb::MsMs 296546 Specdb::MsMs 296547 Specdb::MsMs 337873 Specdb::MsMs 337874 Specdb::MsMs 337875 Specdb::MsMs 2270671 Specdb::MsMs 2270672 Specdb::MsMs 2270673 Specdb::MsMs 3068102 Specdb::MsMs 3068103 Specdb::MsMs 3068104 Specdb::MsIr 8414 Specdb::MsIr 8415 Specdb::NmrOneD 37522 Specdb::NmrOneD 37523 Specdb::NmrOneD 37524 Specdb::NmrOneD 37525 Specdb::NmrOneD 37526 Specdb::NmrOneD 37527 Specdb::NmrOneD 37528 Specdb::NmrOneD 37529 Specdb::NmrOneD 37530 Specdb::NmrOneD 37531 Specdb::NmrOneD 37532 Specdb::NmrOneD 37533 Specdb::NmrOneD 37534 Specdb::NmrOneD 37535 Specdb::NmrOneD 37536 Specdb::NmrOneD 37537 Specdb::NmrOneD 37538 Specdb::NmrOneD 37539 Specdb::NmrOneD 37540 Specdb::NmrOneD 37541 HMDB39979 #<Reference:0x000055ce31c2cf18> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390