9582581 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 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 5 6 7 7 8 8 11 11 11 12 12 13 13 14 15 15 16 16 17 10 4 9 18 6 9 22 8 9 10 14 12 17 10 11 19 20 21 13 14 15 23 24 16 25 17 26 27 2 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 6 -1 3 14 12 24 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 8.0622 8.0622 6.3301 8.9282 7.1962 5.4641 3.732 8.9282 7.1962 8.0622 9.7942 3.732 2.866 4.5981 2 2 2.866 8.0622 10.1042 10.3312 9.4842 6.3301 2.866 4.5981 1.4631 1.4631 2.866 1.81 -1.19 -1.19 -0.69 0.31 -0.69 0.31 0.31 -0.69 0.81 0.81 -0.69 -1.19 -1.19 -0.69 0.31 0.81 -1.81 0.2731 1.12 1.3469 -1.81 -1.81 -1.81 -1 0.62 1.43 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 5 5 7 7 8 12 13 15 16 4 9 8 9 10 12 17 10 13 15 16 17 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 386 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C073A0000000000000000000000000000000000000002C4000000000000000018000001E00180000000808C196043F80926A1000A801357774009280213102200CD8213864980820E2C09191842008708800C8C8071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-[(2E)-2-(2-pyridylmethylene)hydrazino]-2H-1,2,4-triazin-5-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-[(2E)-2-(2-pyridinylmethylidene)hydrazinyl]-2H-1,2,4-triazin-5-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-[(2<I>E</I>)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2<I>H</I>-1,2,4-triazin-5-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-5-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-5-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-[(N'E)-N'-(2-pyridylmethylene)hydrazino]-2H-1,2,4-triazin-5-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-6H,1H3,(H2,13,15,16,17)/b12-6+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VBSLAWZEMACWRT-WUXMJOGZSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.09160896 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10N6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NNC(=NC1=O)NN=CC2=CC=CC=N2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NNC(=NC1=O)N/N=C/C2=CC=CC=N2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 91.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.09160896 17 0 0 0 1 1 0 0 1 -1