1.0 2010-04-08 22:09:30 UTC 2015-07-20 22:38:38 UTC FDB011181 3-Methylpyrrolo[1,2-a]pyrazine Component of roast beef aroma C7H7N3 133.1506 133.063997239 3-methylpyrrolo[2,1-c][1,2,4]triazine 3-methylpyrrolo[2,1-c][1,2,4]triazine 64608-61-3 CC1=CN2C=CC=C2N=N1 InChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3 HSNADAQXGQFCHK-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolotriazines. Pyrrolotriazines are compounds containing a pyrrolotriazine moiety, which consists of a pyrrole ring fused to a triazine ring. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers. Pyrrolotriazines Organic compounds Organoheterocyclic compounds Pyrrolotriazines Aromatic heteropolycyclic compounds 1,2,4-triazines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrroles 1,2,4-triazine Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrrole Pyrrolotriazine Triazine logp 0.90 ALOGPS logs -0.54 ALOGPS solubility 3.88e+01 g/l ALOGPS melting_point Mp 76-81° logp -0.089 ChemAxon pka_strongest_basic -0.45 ChemAxon iupac 3-methylpyrrolo[2,1-c][1,2,4]triazine ChemAxon average_mass 133.1506 ChemAxon mono_mass 133.063997239 ChemAxon smiles CC1=CN2C=CC=C2N=N1 ChemAxon formula C7H7N3 ChemAxon inchi InChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3 ChemAxon inchikey HSNADAQXGQFCHK-UHFFFAOYSA-N ChemAxon polar_surface_area 30.19 ChemAxon refractivity 40.39 ChemAxon polarizability 13.69 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6017 Specdb::MsIr 6018 Specdb::CMs 10414 Specdb::CMs 136721 Specdb::CMs 144455 Specdb::MsMs 63111 Specdb::MsMs 63112 Specdb::MsMs 63113 Specdb::MsMs 120003 Specdb::MsMs 120004 Specdb::MsMs 120005 Specdb::MsMs 2405390 Specdb::MsMs 2405391 Specdb::MsMs 2405392 Specdb::MsMs 2530815 Specdb::MsMs 2530816 Specdb::MsMs 2530817 Specdb::NmrOneD 118518 Specdb::NmrOneD 118519 Specdb::NmrOneD 118520 Specdb::NmrOneD 118521 Specdb::NmrOneD 118522 Specdb::NmrOneD 118523 Specdb::NmrOneD 118524 Specdb::NmrOneD 118525 Specdb::NmrOneD 118526 Specdb::NmrOneD 118527 Specdb::NmrOneD 118528 Specdb::NmrOneD 118529 Specdb::NmrOneD 118530 Specdb::NmrOneD 118531 Specdb::NmrOneD 118532 Specdb::NmrOneD 118533 Specdb::NmrOneD 118534 Specdb::NmrOneD 118535 Specdb::NmrOneD 118536 Specdb::NmrOneD 118537 HMDB33172 #<Reference:0x000055ce333db1f0>