1.0 2010-04-08 22:09:30 UTC 2018-05-28 23:29:40 UTC FDB011170 Pyrocoll obtained from gelatine. Pyrocoll C10H6N2O2 186.1668 186.042927446 1,7-diazatricyclo[7.3.0.0³,⁷]dodeca-3,5,9,11-tetraene-2,8-dione 1,7-diazatricyclo[7.3.0.0³,⁷]dodeca-3,5,9,11-tetraene-2,8-dione 484-73-1 O=C1N2C=CC=C2C(=O)N2C=CC=C12 InChI=1S/C10H6N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h1-6H USCZWOZHDDOBHQ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolopyrazines. Pyrrolopyrazines are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4. Pyrrolopyrazines Organic compounds Organoheterocyclic compounds Pyrrolopyrazines Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrazines Pyrroles Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrazine Pyrrole Pyrrolopyrazine logp 1.91 ALOGPS logs -2.21 ALOGPS solubility 1.15e+00 g/l ALOGPS melting_point Mp 272-273° (sealed tube) logp 0.35 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,7-diazatricyclo[7.3.0.0³,⁷]dodeca-3,5,9,11-tetraene-2,8-dione ChemAxon average_mass 186.1668 ChemAxon mono_mass 186.042927446 ChemAxon smiles O=C1N2C=CC=C2C(=O)N2C=CC=C12 ChemAxon formula C10H6N2O2 ChemAxon inchi InChI=1S/C10H6N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h1-6H ChemAxon inchikey USCZWOZHDDOBHQ-UHFFFAOYSA-N ChemAxon polar_surface_area 44 ChemAxon refractivity 49.15 ChemAxon polarizability 17.8 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6011 Specdb::MsIr 6012 Specdb::CMs 26107 Specdb::CMs 168768 Specdb::MsMs 66504 Specdb::MsMs 66505 Specdb::MsMs 66506 Specdb::MsMs 124095 Specdb::MsMs 124096 Specdb::MsMs 124097 Specdb::MsMs 2436880 Specdb::MsMs 2436881 Specdb::MsMs 2436882 Specdb::MsMs 2528757 Specdb::MsMs 2528758 Specdb::MsMs 2528759 HMDB33163 #<Reference:0x000055ce31dcf640>