71305065 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 7 7 7 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 7 7 8 9 9 10 4 5 6 4 8 12 5 17 18 7 9 8 11 10 13 14 10 15 16 1 2 1 1 1 1 1 1 1 2 1 2 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 3.732 4.6783 2.866 3.732 2.866 4.6783 2.866 5.2619 2 2 4.8709 4.8709 2.866 5.8819 1.4631 1.4631 2.3291 3.403 0.042 -1.2627 1.542 -0.958 0.542 0.3468 -1.458 -0.458 0.042 -0.958 0.9361 -1.852 -2.078 -0.458 0.352 -1.268 1.852 1.852 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 4 5 6 7 9 4 5 6 4 8 7 9 8 10 10 1 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 126 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371C06300000000000000000000000000000001600000002C000000000000005801F800001C00100000000800C113043DB09FCD9800A0003267640082802DB112A009D9A03874988868E2C09991942008689002C8C8261000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[1,2-a]pyridin-4-ium-5-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[1,2-a]pyridin-4-ium-5-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1<I>H</I>-imidazo[1,2-a]pyridin-4-ium-5-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[1,2-a]pyridin-4-ium-5-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[1,2-a]pyridin-4-ium-5-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[1,2-a]pyridin-4-ium-5-ylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C7H7N3/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H,(H2,8,9)/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HVCRCNWHQXWIGR-UHFFFAOYSA-O Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.071822268 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C7H8N3+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=[N+]2C=CNC2=C1)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=[N+]2C=CNC2=C1)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 45.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.071822268 10 0 0 0 0 0 0 0 1 -1