10005 1 2 3 4 5 6 7 8 9 10 7 7 7 7 6 6 1 1 1 1 1 1 1 2 2 2 3 3 4 5 7 8 5 9 10 5 6 6 1 1 1 1 1 1 2 1 3 1 5 255 1 2 3 4 5 6 7 8 9 10 2.5369 3.403 4.269 6.001 3.403 5.135 2 2.5369 3.9399 2.866 0.595 -0.905 0.595 -0.405 0.095 0.095 0.285 1.215 -1.215 -1.215 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 100 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371804380000000000000000000000000000000000000000000000000000000000000000004001000000000000000000100024000003000000024000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyanoguanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyanoguanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyanoguanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyanoguanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyanoguanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyanoguanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QGBSISYHAICWAH-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 84.043596145 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H4N4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 84.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#N)N=C(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#N)N=C(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 88.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 84.043596145 6 0 0 0 0 0 0 0 1 -1