5939 1 2 3 4 5 6 7 8 9 10 11 12 13 14 7 7 7 7 7 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 7 6 8 9 6 10 11 7 12 13 7 14 2 1 1 1 1 1 1 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 4.269 2.5369 3.403 6.001 5.135 3.403 5.135 2 2.5369 2.866 3.9399 6.538 6.001 5.672 0.595 0.595 -0.905 0.595 -0.905 0.095 0.095 0.285 1.215 -1.215 -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 98.6 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 4 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 00000371804380000000000000000000000000000000000000000000000000000000000000000004001000000000000000000100024000002000000024000000018000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylene)guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)guanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)guanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)guanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[bis(azanyl)methylidene]guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylene)guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XNCOSPRUTUOJCJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 101.07014524 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H7N5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 101.11 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=NC(=N)N)(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=NC(=N)N)(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 114 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 101.07014524 7 0 0 0 0 0 0 0 1 -1