60206540 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 7 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 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 12 13 14 15 2 7 8 11 12 9 10 24 12 13 11 15 14 15 9 16 17 10 18 19 20 21 22 23 13 25 14 26 27 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 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 4.9889 4.6783 5.6103 4.6783 2.866 2 5.9674 4.3211 6.2781 4.6318 3.732 5.2619 3.732 2.866 2 5.988 6.5812 3.7742 3.9385 6.825 6.6607 4.6112 4.0179 5.8029 5.8819 2.866 1.4631 0.1324 -0.8181 2.0335 -2.4275 -0.6228 -2.1228 0.3387 0.8767 1.2892 1.8273 -1.1228 -1.6228 -2.1228 -2.6228 -1.1228 -0.281 0.2513 1.1688 0.3888 0.9972 1.7771 2.4469 1.9146 2.6228 -1.6228 -3.2428 -0.8128 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 6 11 13 11 12 12 13 11 15 14 15 13 14 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 217 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07380000000000000000000000000000001600000002C580000000000005801F800001C00180000000808C117042DF0BEC81000A0011667640090842D1112A01550A0387410804880404840140408081802C000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-piperazin-1-ylpurine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-(1-piperazinyl)purine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-piperazin-1-ylpurine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-piperazin-1-ylpurine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-piperazin-1-ylpurine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-piperazinopurine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C9H12N6/c1-3-14(4-2-10-1)15-7-13-8-5-11-6-12-9(8)15/h5-7,10H,1-4H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QJIWGFOFLGNGNX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -0 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.11234441 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C9H12N6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCN1)N2C=NC3=CN=CN=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCN1)N2C=NC3=CN=CN=C32 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 58.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.11234441 15 0 0 0 0 0 0 0 1 -1