3602166 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 16 8 8 7 7 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 5 5 6 7 7 7 8 8 8 10 10 10 2 3 8 9 6 9 17 9 11 11 11 18 19 10 12 13 14 15 16 2 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 5.4645 5.7735 5.1554 3.7044 4.2044 2.8954 2.6166 6.4155 4.5134 7.1587 3.2044 6.1245 6.9041 7.5735 7.6194 6.7438 3.7044 2 2.8688 -0.8422 0.1088 -1.7933 -1.121 0.4179 -0.5332 1.2269 -1.1512 -0.5332 -0.4821 0.4179 -1.6987 -1.5329 -0.9429 -0.0672 -0.0214 -1.741 1.1621 1.7933 8 8 8 8 8 4 4 5 5 6 6 9 9 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.402 Cactvs xemistry.com 2012.05.21 221 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.402 Cactvs xemistry.com 2012.05.21 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.402 Cactvs xemistry.com 2012.05.21 2 Count Rotatable Bond 5 E_NROTBONDS 3.402 Cactvs xemistry.com 2012.05.21 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.402 Cactvs xemistry.com 2012.05.21 00000371C063B000400000000000000000000000000160000000000000000000000000018000001C041800000000008440008310066B100A22000000247058520BC000900520000000008008000000000000001000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.05.21 5-ethylsulfonyl-1H-1,2,4-triazol-3-amine IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.05.21 5-ethylsulfonyl-1H-1,2,4-triazol-3-amine IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.05.21 5-ethylsulfonyl-1H-1,2,4-triazol-3-amine IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.05.21 5-ethylsulfonyl-1H-1,2,4-triazol-3-amine IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.05.21 (5-esyl-1H-1,2,4-triazol-3-yl)amine InChI Standard 1 1.0.4 InChI iupac.org 2012.05.21 InChI=1S/C4H8N4O2S/c1-2-11(9,10)4-6-3(5)7-8-4/h2H2,1H3,(H3,5,6,7,8) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.05.21 XEQIFQYCESPDQI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.05.21 -0.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 176.036797 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 C4H8N4O2S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 176.19692 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.05.21 CCS(=O)(=O)C1=NC(=NN1)N SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.05.21 CCS(=O)(=O)C1=NC(=NN1)N Topological Polar Surface Area 7 E_TPSA 3.402 Cactvs xemistry.com 2012.05.21 110 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 176.036797 11 0 0 0 0 0 0 0 1 5