9562439 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 29 17 17 8 7 7 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 4 5 5 5 6 6 7 8 8 9 9 10 10 10 11 12 13 13 13 14 14 14 16 2 3 15 6 13 14 7 17 11 11 16 12 16 15 25 26 12 15 18 19 20 21 22 23 24 1 1 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 7 -1 6 11 12 8 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 3.0306 3.8966 2.1645 3.7921 1.2039 2.155 2.8981 4.1582 5.4672 5.5242 3.8492 4.6582 0.4608 0.996 4.6582 5.1582 2.2839 0.0459 0 0.8756 1.6024 0.8671 0.3895 5.5226 5.5242 6.0611 0 0.5 0.5 6.0404 3.9016 3.5925 4.2617 3.0016 3.9526 6.0404 3.9526 4.5404 3.2324 4.8797 5.5404 3.0016 2.9861 3.6932 2.8176 2.7717 5.0086 5.4862 4.7508 2.5 6.6604 5.7304 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 305 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C063A000060000040000000000000000000100000000000000000000000000000000001E001800000008080180040300024200002801033134000000010000000020012800000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 dichlorocopper;(5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 dichlorocopper;(5Z)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 dichlorocopper;(5<I>Z</I>)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 dichlorocopper;(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(chloranyl)copper;(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 dichlorocopper;(5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H10N6O.2ClH.Cu/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;;;/h3,11H,1-2H3,(H2,7,13);2*1H;/q;;;+2/p-2/b10-6-;;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KMSFWRWTRKCAAV-LSSTYPKMSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.958911 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H10Cl2CuN6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 316.63 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)NN=C1C(=NC=N1)C(=O)N.Cl[Cu]Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)N/N=C\1/C(=NC=N1)C(=O)N.Cl[Cu]Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 95.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.958911 16 0 0 0 1 1 0 0 2 -1