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 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 98.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371804380000000000000000000000000000000000000000000000000000000000000000004001000000000000000000100024000002000000024000000018000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(diaminomethylene)guanidine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(diaminomethylidene)guanidine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(diaminomethylidene)guanidine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[bis(azanyl)methylidene]guanidine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(diaminomethylene)guanidine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XNCOSPRUTUOJCJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 101.070145 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H7N5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 101.11048 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=NC(=N)N)(N)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=NC(=N)N)(N)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 114 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 101.070145 7 0 0 0 0 0 0 0 1 2