1.0 2020-04-03 05:32:55 UTC 2025-11-19 03:08:01 UTC FDB097412 Cyanazine C9H13ClN6 240.693 240.089022153 2-{[4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile payze CCN=C1NC(NC(C)(C)C#N)=NC(Cl)=N1 InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16) MZZBPDKVEFVLFF-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. Aminotriazines Organic compounds Organoheterocyclic compounds Triazines Aminotriazines Aromatic heteromonocyclic compounds Aryl chlorides Azacyclic compounds Chloro-s-triazines Heteroaromatic compounds Hydrocarbon derivatives Nitriles Organochlorides Organopnictogen compounds Secondary alkylarylamines 1,3,5-triazine Amine Amino-1,3,5-triazine Aminotriazine Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Carbonitrile Chloro-s-triazine Halo-s-triazine Heteroaromatic compound Hydrocarbon derivative Nitrile Organic nitrogen compound Organochloride Organohalogen compound Organonitrogen compound Organopnictogen compound Secondary aliphatic/aromatic amine Secondary amine 1,3,5-triazinylamino nitrile Triazine herbicides chloro-1,3,5-triazine logp 1.29 ALOGPS logs -2.07 ALOGPS solubility 2.03e+00 g/l ALOGPS logp 1.14 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic 3.2 ChemAxon iupac 2-{[4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile ChemAxon average_mass 240.693 ChemAxon mono_mass 240.089022153 ChemAxon smiles CCN=C1NC(NC(C)(C)C#N)=NC(Cl)=N1 ChemAxon formula C9H13ClN6 ChemAxon inchi InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16) ChemAxon inchikey MZZBPDKVEFVLFF-UHFFFAOYSA-N ChemAxon polar_surface_area 84.93 ChemAxon refractivity 61.75 ChemAxon polarizability 24.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1511 Specdb::CMs 107617 Specdb::CMs 120015 Specdb::NmrOneD 3522 Specdb::NmrOneD 3658 Specdb::MsMs 62715 Specdb::MsMs 62716 Specdb::MsMs 62717 Specdb::MsMs 119502 Specdb::MsMs 119503 Specdb::MsMs 119504 Specdb::MsMs 2226958 Specdb::MsMs 2227735 Specdb::MsMs 2229324 Specdb::MsMs 2229599 Specdb::MsMs 2230004 Specdb::MsMs 2230158 Specdb::MsMs 2231934 Specdb::MsMs 2232243 Specdb::MsMs 2234188 Specdb::MsMs 2234778 Specdb::MsMs 2253057 Specdb::MsMs 2253112 Specdb::MsMs 2253371 Specdb::MsMs 2253389 Specdb::MsMs 2255162 Specdb::MsMs 2255427 Specdb::MsMs 2255435 Specdb::MsMs 2257084 Specdb::MsMs 2257492 Milk (Cow) Type 2 specific 89.061662 314.0 0.00831 uM