66490126 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 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 1 1 2 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 11 11 12 12 13 13 14 15 15 15 10 7 10 20 5 8 9 15 23 6 10 9 11 8 16 17 18 19 12 13 21 14 22 14 24 25 26 27 28 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 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 2 2.866 4.5981 5.4641 3.732 3.732 3.732 4.5981 4.5981 2.866 2.866 4.5981 2.866 3.732 6.3301 3.3335 4.1306 4.8101 5.2087 2.3291 2.3291 5.135 5.4641 2.3291 3.732 6.6401 6.8671 6.0201 -0.5 -2 -1 0.5 -0.5 0.5 -2.5 -2 1 -1 1 2 2 2.5 1 -2.975 -2.975 -2.5826 -1.8923 -2.31 0.69 2.31 -0.12 2.31 3.12 0.4631 1.31 1.5369 8 8 8 8 8 8 6 6 9 11 12 13 9 11 12 13 14 14 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 275 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732000000000000000000000000000000000000000304000000000000000010000001E00100000000C08C1980432C082C00000A803257254008200002102000888812864980860B2C09591942008609600C8C8071C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[2-(methylamino)phenyl]-2,3-dihydro-1H-pyrazin-6-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[2-(methylamino)phenyl]-2,3-dihydro-1H-pyrazin-6-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[2-(methylamino)phenyl]-2,3-dihydro-1<I>H</I>-pyrazin-6-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[2-(methylamino)phenyl]-2,3-dihydro-1H-pyrazin-6-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[2-(methylamino)phenyl]-2,3-dihydro-1H-pyrazin-6-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[2-(methylamino)phenyl]-2,3-dihydro-1H-pyrazin-6-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H13N3O/c1-12-9-5-3-2-4-8(9)10-11(15)14-7-6-13-10/h2-5,12H,6-7H2,1H3,(H,14,15) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BZGHBTFKESYCGN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.105862047 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H13N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNC1=CC=CC=C1C2=NCCNC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNC1=CC=CC=C1C2=NCCNC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 53.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.105862047 15 0 0 0 0 0 0 0 1 -1