1.0 2018-10-03 16:33:55 UTC 2020-06-04 20:40:39 UTC BMDB0063618 BMDB63618 terbuthylazine Terbuthylazine Terbutylethylazine Click 500 SC Terbythylazine Terbutylazine Gardoprim C9H16ClN5 229.71 229.1094232 N-tert-butyl-4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-amine terbuthylazine 5915-41-3 CCN=C1NC(NC(C)(C)C)=NC(Cl)=N1 InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15) FZXISNSWEXTPMF-UHFFFAOYSA-N belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine ring. Organic compounds Organoheterocyclic compounds Triazines Aminotriazines Aminotriazines Aryl chlorides Azacyclic compounds Chloro-s-triazines Heteroaromatic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds Secondary alkylarylamines 1,3,5-triazine Amine Amino-1,3,5-triazine Aminotriazine Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Chloro-s-triazine Halo-s-triazine Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organochloride Organohalogen compound Organonitrogen compound Organopnictogen compound Secondary aliphatic/aromatic amine Secondary amine Aromatic heteromonocyclic compounds Triazine herbicides chloro-1,3,5-triazine diamino-1,3,5-triazine logp 2.02 ALOGPS logs -2.91 ALOGPS logp 1.65 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic 5.42 ChemAxon iupac N-tert-butyl-4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-amine ChemAxon average_mass 229.71 ChemAxon mono_mass 229.1094232 ChemAxon smiles CCN=C1NC(NC(C)(C)C)=NC(Cl)=N1 ChemAxon formula C9H16ClN5 ChemAxon inchi InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15) ChemAxon inchikey FZXISNSWEXTPMF-UHFFFAOYSA-N ChemAxon polar_surface_area 61.14 ChemAxon refractivity 61.28 ChemAxon polarizability 24.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 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 112138 Specdb::CMs 125539 Specdb::MsMs 49935 Specdb::MsMs 49936 Specdb::MsMs 49937 Specdb::MsMs 122847 Specdb::MsMs 122848 Specdb::MsMs 122849 Specdb::MsMs 2229034 Specdb::MsMs 2230403 Specdb::MsMs 2231419 Specdb::MsMs 2232813 Specdb::MsMs 2235145 Specdb::MsMs 2236108 Specdb::MsMs 2236150 Specdb::MsMs 2237249 Specdb::MsMs 2237254 Specdb::MsMs 2238212 Specdb::MsMs 2238276 Specdb::MsMs 2239323 Specdb::MsMs 2239346 Specdb::MsMs 2240263 Specdb::MsMs 2241427 Specdb::MsMs 2242331 Specdb::MsMs 2242395 Specdb::MsMs 2242858 Specdb::MsMs 2243007 20848 C18810 30263 Terbuthylazine