9573685 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 1 1 4 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 14 15 15 15 16 16 16 2 3 4 5 12 11 14 13 14 9 13 12 18 19 10 20 15 16 12 13 17 21 22 23 24 25 26 1 1 6 6 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 -1 9 13 11 6 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 6.4756 7.2846 6.1666 7.0634 5.5246 3.9947 4.2677 6.7846 3.2892 2.9785 5.5246 6.4756 4.5783 4.5783 2 3.6464 4.3857 7.3911 6.3698 2.8751 2.1279 1.3933 1.8721 4.1078 4.0604 3.1849 -1.7571 -2.3449 -2.7082 -0.9481 -1.4481 -0.9481 0.8071 0.812 1.0134 1.9639 -0.4481 -0.1391 -0.1434 -1.7528 2.1701 2.7082 -2.3422 0.9409 1.2727 0.5519 2.7768 2.298 1.5634 2.2941 3.1696 3.1223 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 329 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C063A000060000040000000000000000000102000000000000000000100000000000001E001800000008080180040300024200002801033134000000010000000020012800000000080040000000000000000000000000000000000000000000000000000000000000000000000000 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