70680309 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 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 28 1 1 1 2 2 3 4 4 4 5 5 5 6 6 8 8 9 9 11 11 12 12 13 13 14 14 15 15 16 7 10 3 6 11 7 24 25 10 26 27 7 8 9 17 10 18 12 13 14 19 15 20 16 21 16 22 23 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 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 4.8671 3.135 3.135 3.135 6.5991 4.001 4.001 4.8671 5.7331 5.7331 2.269 1.403 2.269 0.5369 1.403 0.5369 4.8671 6.27 1.403 2.8059 0 1.403 0 3.135 2.5981 7.136 6.5991 3.318 0.62 2.62 3.62 0.62 0.62 2.12 1.12 2.62 2.12 1.12 4.12 3.62 5.12 4.12 5.62 5.12 3.24 2.43 3 5.43 3.81 6.24 5.43 0 0.93 0.93 0 8.24 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 8 9 11 11 12 13 14 15 7 10 7 8 9 10 12 13 14 15 16 16 1 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 237 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07380000000000000000000000000000000000000003C400000000000000001C000001C0018000000080881120031F092481000A200266264008280292112200898203074988860E2C09191942008609002C8C8271000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 hydron;3-phenylazopyridine-2,6-diamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 hydron;3-phenyldiazenylpyridine-2,6-diamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 hydron;3-phenyldiazenylpyridine-2,6-diamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 hydron;3-phenyldiazenylpyridine-2,6-diamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 hydron;3-phenyldiazenylpyridine-2,6-diamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-amino-3-phenylazo-2-pyridyl)amine;hydron InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/p+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QPFYXYFORQJZEC-UHFFFAOYSA-O Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 214.10927040 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12N5+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 214.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [H+].C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [H+].C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 89.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 214.10927040 16 0 0 0 0 0 0 0 2 -1