9261 1 2 3 4 5 6 7 8 9 10 7 7 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 5 5 6 3 5 4 6 4 7 8 6 9 10 2 1 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.866 2.866 2 2 3.732 3.732 1.4631 1.4631 4.269 4.269 -1 1 -0.5 0.5 -0.5 0.5 -0.81 0.81 -0.81 0.81 8 8 8 8 8 8 1 1 2 2 3 5 3 5 4 6 4 6 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 26.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371806300000000000000000000000000000000000000002C0000000000000000018000001C00000000000000C102042C8012081000A000102744000080241112200840001830000040400000001000000000008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 pyrazine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 pyrazine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 pyrazine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 pyrazine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 pyrazine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 KYQCOXFCLRTKLS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 80.037448 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H4N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 80.08796 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CN=CC=N1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CN=CC=N1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 25.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 80.037448 6 0 0 0 0 0 0 0 1 1