661897 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 31 32 33 34 35 7 7 7 7 6 6 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 1 1 1 1 1 2 2 3 4 4 5 5 6 6 8 8 8 9 10 10 11 11 12 12 12 13 14 15 15 16 17 17 17 18 18 18 19 19 19 3 7 9 5 7 15 7 16 6 9 10 11 12 13 14 20 13 21 14 22 17 23 24 25 26 16 18 19 27 28 29 30 31 32 33 34 35 1 1 1 1 2 2 1 2 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 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 31 32 33 34 35 4.5981 5.5443 3.732 3.732 6.1279 7.1279 4.5981 9.1279 5.5443 7.6279 7.6279 10.1279 8.6279 8.6279 2.866 2.866 10.6279 2 2 5.7369 7.3179 7.3179 10.7105 10.0202 8.9379 8.9379 10.091 10.9379 11.1648 2.31 1.4631 1.69 1.69 1.4631 2.31 0.5 -0.8047 1 -1 -0 0 -0.5 -0 0.8047 0.866 -0.866 -0 0.866 -0.866 0.5 -0.5 -0.866 1 -1 1.394 1.403 -1.403 0.2121 0.6106 1.403 -1.403 -1.176 -1.403 -0.556 1.5369 1.31 0.4631 -0.4631 -1.31 -1.5369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 4 4 5 6 6 8 8 10 11 15 3 7 9 5 7 15 7 16 9 10 11 13 14 13 14 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 301 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371E07380000000000000000000000000000001600000003C400000000000005801F000001C00080000000C08C11E043F9096081000A2033467640092842F3192A01DD8203874988868A2C0991194A00868880248C8271080C00E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-ethylphenyl)-2,3-dimethyl-imidazo[1,2-b][1,2,4]triazine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-ethylphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-ethylphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-ethylphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-ethylphenyl)-2,3-dimethyl-imidazo[1,2-b][1,2,4]triazine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-ethylphenyl)-2,3-dimethyl-imidazo[1,2-b][1,2,4]triazine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H16N4/c1-4-12-5-7-13(8-6-12)14-9-19-15(17-14)16-10(2)11(3)18-19/h5-9H,4H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YBOMSOYDNVKDBA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.137496527 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H16N4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=CC=C(C=C1)C2=CN3C(=N2)N=C(C(=N3)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=CC=C(C=C1)C2=CN3C(=N2)N=C(C(=N3)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 43.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.137496527 19 0 0 0 0 0 0 0 1 -1