5917 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 5 5 5 5 6 6 6 7 7 7 8 8 9 9 9 2 8 10 4 4 10 6 7 11 12 8 13 14 9 15 16 17 18 10 19 20 1 1 1 2 1 2 1 1 1 1 1 1 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 20 4.1881 5.1328 5.1408 5.7204 2 2.4294 2.4384 3.4032 3.4144 4.1931 1.5172 1.5133 1.8242 2.4263 2.4415 1.8346 3.1314 3.886 3.901 3.1482 -0.5039 -0.8133 0.7961 -0.0115 0.007 -0.8961 0.9058 -1.1235 1.1235 0.4961 0.396 -0.3771 -1.031 -1.5161 1.5258 1.0468 -1.6807 -1.5124 1.5076 1.6834 8 8 8 8 8 1 1 2 3 3 2 10 4 4 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0638000000000000000000000000000000160000000000000000580000000B18000001C00080000000800C103040110060800002200022024000000030080801540003800008000020088000400000000028000011000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7,8,9-tetrahydro-5<I>H</I>-tetrazolo[1,5-a]azepine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7,8,9-tetrahydro-5H-[1,2,3,4]tetrazolo[1,5-a]azepine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7,8,9-tetrahydro-5H-tetrazol[1,5-a]azepine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CWRVKFFCRWGWCS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.090546336 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H10N4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC2=NN=NN2CC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC2=NN=NN2CC1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 43.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.090546336 10 0 0 0 0 0 0 0 1 -1