46829232 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 8 7 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 12 12 13 11 9 10 11 4 11 12 5 13 7 8 14 15 9 16 17 10 18 19 20 21 22 23 13 24 25 2 1 1 1 1 1 1 2 1 1 1 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 5.3147 4.4487 3.5827 2.6691 2 4.4487 3.5827 5.3147 3.5827 5.3147 4.4487 3.4782 2.5 4.8472 4.0502 3.3706 2.9721 5.9253 5.5268 2.9721 3.3706 5.5268 5.9253 3.9389 2.2478 -1.1488 0.3512 -1.1488 -0.742 -1.4852 2.3512 1.8512 1.8512 0.8512 0.8512 -0.6488 -2.1433 -2.3512 2.8262 2.8262 2.4338 1.7436 1.7436 2.4338 0.9589 0.2686 0.2686 0.9589 -2.5582 -2.9176 8 8 8 8 8 3 3 4 5 12 4 12 5 13 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 191 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073A0000000000000000000000000000001600000002C0000000000000000018000001E00080000000800C102042D8013080000AA00102754000004041192001E00001830008040020080001400000806028000201000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-piperidyl(triazol-1-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-piperidinyl(1-triazolyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 piperidin-1-yl(triazol-1-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 piperidin-1-yl(triazol-1-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 piperidin-1-yl(1,2,3-triazol-1-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 piperidino(triazol-1-yl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C8H12N4O/c13-8(12-7-4-9-10-12)11-5-2-1-3-6-11/h4,7H,1-3,5-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KDNVYIPQHISMEU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.10111102 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C8H12N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCN(CC1)C(=O)N2C=CN=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCN(CC1)C(=O)N2C=CN=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 51 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.10111102 13 0 0 0 0 0 0 0 1 -1