2094 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 7 7 7 7 6 6 6 6 6 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 8 10 9 3 7 12 8 13 7 10 9 10 7 8 9 11 14 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.866 4.6783 5.2619 2.866 2 3.732 3.732 4.6783 2.866 2 4.8709 4.8709 5.8819 1.4631 1.697 -1.1077 -0.303 -1.303 0.197 0.197 -0.803 0.5018 0.697 -0.803 1.0911 -1.697 -0.303 -1.113 8 8 8 8 8 8 8 8 8 2 2 3 4 4 5 5 6 6 3 7 8 7 10 9 10 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 275 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 000003718063A000000000000000000000000000000100000000200000000000000040000000001E00180000000C00C18004010002620000A802037774008000010000021020812000500000080040000000000000000000C00000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OFCNXPDARWKPPY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 136.038511 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H4N4O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 136.11146 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=C2C(=NC=NC2=O)NN1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=C2C(=NC=NC2=O)NN1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 65.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 136.038511 10 0 0 0 0 0 0 0 1 13