178030 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 27 28 29 7 7 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 6 6 6 7 7 7 8 8 8 9 9 10 11 11 11 13 13 13 14 14 14 6 7 11 3 5 13 12 5 12 8 15 16 9 17 18 10 19 20 10 12 21 22 23 24 14 25 26 27 28 29 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 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 21 22 23 24 25 26 27 28 29 6.897 3.5823 4.2514 5.0604 4.0823 7.7631 6.031 7.7631 6.031 6.897 6.897 5.165 2.5878 2 7.9751 8.3736 5.4204 5.819 8.3736 7.9751 6.897 6.277 6.897 7.517 2.0305 2.7587 2.5016 1.6356 1.4984 -1.1012 1.2352 0.492 1.8933 2.1012 -0.6012 -0.6012 0.3988 0.3988 0.8988 -2.1012 0.8988 1.1307 1.9397 -1.1838 -0.4936 -0.4936 -1.1838 0.2911 0.9814 1.5188 -2.1012 -2.7212 -2.1012 0.8589 0.5347 2.3041 2.4413 1.5752 8 8 8 8 8 2 2 3 4 4 3 5 12 5 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 227 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0738000000000000000000000000000000160000000200000000000000000018000001C00080000000C00C10304031007000000A202226220009000022080001408002800180000000041000400000008008800020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2-ethyl-5-tetrazolyl)-1-methyl-3,6-dihydro-2H-pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2<I>H</I>-pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2-ethyl-1,2,3,4-tetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RNMOMKCRCIRYCZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.13274550 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H15N5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1N=C(N=N1)C2=CCCN(C2)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1N=C(N=N1)C2=CCCN(C2)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.13274550 14 0 0 0 0 0 0 0 1 -1