9562060 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 8 7 7 7 7 7 6 6 1 1 1 1 1 2 -1 8 1 1 2 3 4 4 4 5 5 5 6 6 10 10 10 7 8 8 7 9 10 9 14 15 8 9 11 12 13 2 1 2 1 1 1 1 1 1 1 2 1 1 1 6 -1 8 9 4 5 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6.3301 2.866 2 4.5981 2.866 3.732 5.4641 2.866 3.732 4.5981 5.2181 4.5981 3.9781 2.3291 2.866 1 -2 -0.5 1 1 -0.5 0.5 -1 0.5 2 2 2.62 2 0.69 1.62 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 170 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003718043B0000000000000000000000000000000000000000000000000000000000000000014001C00000000000000040300024040002100000021000000000000000500000800008000000000000000001000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-2-nitro-1-nitroso-guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-2-nitro-1-nitrosoguanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-2-nitro-1-nitrosoguanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-2-nitro-1-nitrosoguanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-2-nitro-1-nitroso-guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-2-nitro-1-nitroso-guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VZUNGTLZRAYYDE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.03923904 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H5N5O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C(=N[N+](=O)[O-])N)N=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(/C(=N/[N+](=O)[O-])/N)N=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 117 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.03923904 10 0 0 0 1 1 0 0 1 -1