1.0 2020-02-10 19:45:42 UTC 2020-04-22 15:54:39 UTC BMDB0063674 BMDB63674 Trimethylpyrazine 235-Trimethyl-pyrazine 2,3,5-TRIMETHYL pyrazine 2,3,5-Trimethyl-pyrazine 2,3,6-Trimethylpyrazine FEMA 3244 Pyrazine, 2,3,5-trimethyl Trimethyl-pyrazine C7H10N2 122.1677 122.08439833 2,3,5-trimethylpyrazine pyrazine, trimethyl- 14667-55-1 CC1=NC(C)=C(C)N=C1 InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3 IAEGWXHKWJGQAZ-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. Organic compounds Organoheterocyclic compounds Diazines Pyrazines Pyrazines 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 Aromatic heteromonocyclic compounds logp 1.11 ALOGPS logs -0.37 ALOGPS logp -0.068 ChemAxon pka_strongest_basic 2.08 ChemAxon iupac 2,3,5-trimethylpyrazine ChemAxon average_mass 122.1677 ChemAxon mono_mass 122.08439833 ChemAxon smiles CC1=NC(C)=C(C)N=C1 ChemAxon formula C7H10N2 ChemAxon inchi InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3 ChemAxon inchikey IAEGWXHKWJGQAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 35.52 ChemAxon polarizability 13.94 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 3060 Specdb::CMs 28912 Specdb::CMs 29391 Specdb::CMs 100971 Specdb::CMs 100972 Specdb::CMs 159657 Specdb::MsIr 4939 Specdb::MsIr 4940 Specdb::EiMs 1559 Specdb::MsMs 13115 Specdb::MsMs 13116 Specdb::MsMs 13117 Specdb::MsMs 19787 Specdb::MsMs 19788 Specdb::MsMs 19789 Specdb::MsMs 1476821 Specdb::MsMs 1476822 Specdb::MsMs 1476823 Specdb::MsMs 1476824 Specdb::MsMs 1476825 Specdb::MsMs 1476826 Specdb::MsMs 1476827 Specdb::MsMs 2734130 Specdb::MsMs 2734131 Specdb::MsMs 2734132 Specdb::MsMs 2971740 Specdb::MsMs 2971741 Specdb::MsMs 2971742 Specdb::NmrOneD 3839 Specdb::NmrOneD 4106 Specdb::NmrOneD 165809 Specdb::NmrOneD 165810 Specdb::NmrOneD 165811 Specdb::NmrOneD 165812 Specdb::NmrOneD 165813 Specdb::NmrOneD 165814 Specdb::NmrOneD 165815 Specdb::NmrOneD 165816 Specdb::NmrOneD 165817 Specdb::NmrOneD 165818 Specdb::NmrOneD 165819 Specdb::NmrOneD 165820 Specdb::NmrOneD 165821 Specdb::NmrOneD 165822 Specdb::NmrOneD 165823 Specdb::NmrOneD 165824 Specdb::NmrOneD 165825 Specdb::NmrOneD 165826 Specdb::NmrOneD 165827 Specdb::NmrOneD 165828 Muscle Samples have been collected from Heifer cows. Osorio MT, Downey G, Moloney AP, Rohrle FT, Luciano G, Schmidt O, Monahan FJ: Beef authentication using dietary markers: chemometric selection and modelling of significant beef biomarkers using concatenated data from multiple analytical methods. Food Chem. 2013 Dec 1;141(3):2795-801. doi: 10.1016/j.foodchem.2013.05.118. Epub 2013 Jun 5. 23871026 FDB008527 24972 26808 C00053868 Alkylpyrazine