1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:45 UTC FDB019663 2,6-Diethyl-3,5-dimethylpyrazine Constituent of roast coffee aroma. Maillard product. 2,6-Diethyl-3,5-dimethylpyrazine is found in coffee and coffee products. C10H16N2 164.2474 164.131348522 2,6-diethyl-3,5-dimethylpyrazine 2,6-diethyl-3,5-dimethylpyrazine 18940-74-4 CCC1=NC(CC)=C(C)N=C1C InChI=1S/C10H16N2/c1-5-9-7(3)11-8(4)10(6-2)12-9/h5-6H2,1-4H3 LQIGIQZSHAYEKN-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 2 ChemAxon iupac 2,6-diethyl-3,5-dimethylpyrazine ChemAxon average_mass 164.2474 ChemAxon mono_mass 164.131348522 ChemAxon smiles CCC1=NC(CC)=C(C)N=C1C ChemAxon formula C10H16N2 ChemAxon inchi InChI=1S/C10H16N2/c1-5-9-7(3)11-8(4)10(6-2)12-9/h5-6H2,1-4H3 ChemAxon inchikey LQIGIQZSHAYEKN-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 49.36 ChemAxon polarizability 19.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12450 Specdb::CMs 171792 Specdb::MsIr 8418 Specdb::MsIr 8419 Specdb::MsMs 293395 Specdb::MsMs 293396 Specdb::MsMs 293397 Specdb::MsMs 333862 Specdb::MsMs 333863 Specdb::MsMs 333864 Specdb::MsMs 2268706 Specdb::MsMs 2268707 Specdb::MsMs 2268708 Specdb::MsMs 3072909 Specdb::MsMs 3072910 Specdb::MsMs 3072911 Specdb::NmrOneD 37562 Specdb::NmrOneD 37563 Specdb::NmrOneD 37564 Specdb::NmrOneD 37565 Specdb::NmrOneD 37566 Specdb::NmrOneD 37567 Specdb::NmrOneD 37568 Specdb::NmrOneD 37569 Specdb::NmrOneD 37570 Specdb::NmrOneD 37571 Specdb::NmrOneD 37572 Specdb::NmrOneD 37573 Specdb::NmrOneD 37574 Specdb::NmrOneD 37575 Specdb::NmrOneD 37576 Specdb::NmrOneD 37577 Specdb::NmrOneD 37578 Specdb::NmrOneD 37579 Specdb::NmrOneD 37580 Specdb::NmrOneD 37581 HMDB39981 #<Reference:0x000055ce330e1b70> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390