46947967 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 7 7 7 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 2 2 3 4 4 4 5 6 7 7 8 9 9 10 10 10 11 12 13 13 14 14 15 15 16 16 17 5 6 12 3 5 12 6 7 9 8 18 8 19 20 11 21 11 13 14 22 23 15 24 16 25 17 26 17 27 28 1 1 1 1 2 2 2 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 9 4 21 11 22 10 2 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 8.0622 9.0084 9.592 6.3301 8.0622 7.1962 6.3301 7.1962 5.4641 3.732 4.5981 9.0084 3.732 2.866 2.866 2 2 7.1962 5.7932 7.1962 5.4641 4.5981 9.201 4.269 2.866 2.866 1.4631 1.4631 -0.25 -1.5547 -0.75 -0.25 -1.25 0.25 -1.25 -1.75 0.25 0.25 -0.25 0.0547 1.25 -0.25 1.75 0.25 1.25 0.87 -1.56 -2.37 0.87 -0.87 0.6441 1.56 -0.87 2.37 -0.06 1.56 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 7 10 10 13 14 15 16 5 6 12 3 5 12 6 7 8 8 13 14 15 16 17 17 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 271 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07300000000000000000000000000000001600000003C400000000000005801F000001C00080000000C00C11B043DB09F0C1800A2023267640092842B3182A01DD8203864988828E2C0999184A008608802C8C8271080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-[(E)-styryl]-[1,2,4]triazolo[4,3-a]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-[(<I>E</I>)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-[(E)-styryl]-[1,2,4]triazolo[4,3-a]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H11N3/c1-2-4-12(5-3-1)6-7-13-8-9-14-16-15-11-17(14)10-13/h1-11H/b7-6+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CIJNYVJFHDTRLO-VOTSOKGWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.095297364 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H11N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C=CC2=CN3C=NN=C3C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)/C=C/C2=CN3C=NN=C3C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.095297364 17 0 0 0 1 1 0 0 1 -1