123 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 7 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 9 8 10 9 17 18 10 21 22 10 19 20 7 8 11 12 9 13 14 15 16 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 4.269 5.135 2.5369 6.001 4.269 4.269 3.403 4.269 3.403 5.135 4.481 4.8796 3.1909 2.7924 4.0569 3.6584 2.5369 2 3.732 4.269 6.538 6.001 -2.5 1 -2.5 2.5 2.5 -0.5 -1 0.5 -2 2 -1.0826 -0.3923 -0.4174 -1.1077 1.0826 0.3923 -3.12 -2.19 2.19 3.12 2.19 3.12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 139 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C063A000000000000000000000000000000000000000000000000000000000000000001E00100000000800C180040100024000002800011034000000010000000000010000000000100080000000000010000000000400000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-guanidinobutanamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-(diaminomethylideneamino)butanamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-(diaminomethylideneamino)butanamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[bis(azanyl)methylideneamino]butanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-guanidinobutyramide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YHVFECVVGNXFKO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 144.101111 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H12N4O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 144.17498 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)N)CN=C(N)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)N)CN=C(N)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 108 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 144.101111 10 0 0 0 0 0 0 0 1 6