3520 1 2 3 4 5 6 7 8 9 7 7 7 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 6 4 7 8 4 9 1 1 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 4.269 2.5369 3.403 3.403 4.8059 4.269 2 2.5369 2.866 0.595 0.595 -0.905 0.095 0.285 1.215 0.285 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 26.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371800300000000000000000000000000000000000000000000000000000000000000000004001000000000000000000100004000002000000020000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 guanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 guanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 guanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZRALSGWEFCBTJO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 59.048347172 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH5N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 59.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=N)(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=N)(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 75.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 59.048347172 4 0 0 0 0 0 0 0 1 -1