12583 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 7 7 7 7 7 6 6 6 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 5 6 6 6 9 7 8 10 7 9 8 9 7 11 12 8 13 14 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 4.269 4.269 3.403 5.135 2.5369 6.001 3.403 5.135 4.269 4.269 2 2.5369 6.538 6.001 -1.81 1.19 -0.31 -0.31 1.19 1.19 0.69 0.69 -0.81 1.81 0.88 1.81 0.88 1.81 8 8 8 8 8 8 2 2 3 3 4 4 7 8 7 9 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 184 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 000003718043A000000000000000000000000000000000000000200000000000000000000000000600100000000000000000010002C000002800000034000000010000000100000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-diamino-1H-1,3,5-triazin-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-diamino-1H-1,3,5-triazin-4-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-diamino-1<I>H</I>-1,3,5-triazin-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-diamino-1H-1,3,5-triazin-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-bis(azanyl)-1H-1,3,5-triazin-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-diamino-1H-s-triazin-4-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MASBWURJQFFLOO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 127.04940980 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H5N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 127.11 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1(=NC(=O)N=C(N1)N)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1(=NC(=O)N=C(N1)N)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 127.04940980 9 0 0 0 0 0 0 0 1 -1