70698659 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 30 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 7 7 8 8 9 9 10 10 11 13 14 15 15 15 16 16 16 17 17 17 12 5 7 14 6 12 20 13 14 6 8 11 12 13 9 18 10 15 11 16 19 17 21 22 23 24 25 26 27 28 29 30 2 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 1 2 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 21 22 23 24 25 26 27 28 29 30 4.3958 3.5298 5.2619 2 4.3958 5.2619 3.5298 4.3798 5.2778 6.1799 6.1719 4.3958 2.5836 2.5836 5.274 7.0479 2.2729 3.8393 6.7052 5.7988 2.391 5.894 5.2716 4.654 7.3558 7.586 6.7399 1.6836 2.0803 2.8623 -2.7846 -0.2846 -1.2846 -0.7846 0.2154 -0.2846 -1.2846 1.2569 1.7846 1.2638 0.2222 -1.7846 -1.5894 0.0201 2.7846 1.7605 -2.5399 1.5607 -0.094 -1.5946 0.6094 2.787 3.4046 2.7822 1.2224 2.0684 2.2986 -2.3473 -3.1292 -2.7325 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 5 5 6 7 7 8 9 10 5 7 14 6 12 13 14 6 8 11 12 13 9 10 11 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 333 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07320000000000000000000000000000001600000003C4000000000000058B1C000001E00100000000C08819E0437D097CC1000A8032573740082802D3712A001D801B874C888687AC0D9B1942188689402C8C9671080800E88000040001000201000008000200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,7,8-trimethyl-5<I>H</I>-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H13N3O/c1-7-4-10-11(5-8(7)2)16-6-14-9(3)12(16)13(17)15-10/h4-6H,1-3H3,(H,15,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DOIBIUQAYBEFLW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 227.105862047 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H13N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 227.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C(C=C1C)N3C=NC(=C3C(=O)N2)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C(C=C1C)N3C=NC(=C3C(=O)N2)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 46.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 227.105862047 17 0 0 0 0 0 0 0 1 -1