(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione

C109H101F9N32O21 — CID 165004116

About (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione

(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 165004116) has the molecular formula C109H101F9N32O21 and a molecular weight of 2366.19 g/mol. Its IUPAC name is (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 165004116
• Molecular Formula: C109H101F9N32O21
• Molecular Weight: 2366.19 g/mol
• Exact Mass: 2364.77
• IUPAC Name: (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)NC(=O)N(c2nc(Oc3ccc4c(c3)CCO4)nnc2C(F)(F)F)C1=O.CC[C@H]1NC(=O)N(c2nnc(F)c(Oc3ccc(C)c(OC)c3)n2)C1=O.CC[C@H]1NC(=O)N(c2nnc(F)c(Oc3ccccc3-c3ccccc3)n2)C1=O.Cc1ccc(Oc2nnc(F)c(N3C(=O)NC(C)(C)C3=O)n2)c2c1OCC2(C)C.[C-]#[N+]c1cc(Oc2nc(N3C(=O)NC(C)(C)C3=O)nc(C(F)(F)F)n2)ccc1C.[C-]#[N+]c1ccc(Oc2nc(N3C(=O)N[C@H](CC)C3=O)nnc2C)c(C(C)(C)C)c1
• InChI: InChI=1S/C20H16FN5O3.C20H22N6O3.C19H20FN5O4.C17H13F3N6O3.C17H14F3N5O4.C16H16FN5O4/c1-2-14-18(27)26(20(28)22-14)19-23-17(16(21)24-25-19)29-15-11-7-6-10-13(15)12-8-4-3-5-9-12;1-7-14-17(27)26(19(28)22-14)18-23-16(11(2)24-25-18)29-15-9-8-12(21-6)10-13(15)20(3,4)5;1-9-6-7-10(11-12(9)28-8-18(11,2)3)29-16-21-14(13(20)23-24-16)25-15(26)19(4,5)22-17(25)27;1-8-5-6-9(7-10(8)21-4)29-14-23-11(17(18,19)20)22-13(24-14)26-12(27)16(2,3)25-15(26)28;1-16(2)13(26)25(15(27)22-16)12-11(17(18,19)20)23-24-14(21-12)29-9-3-4-10-8(7-9)5-6-28-10;1-4-10-14(23)22(16(24)18-10)15-19-13(12(17)20-21-15)26-9-6-5-8(2)11(7-9)25-3/h3-11,14H,2H2,1H3,(H,22,28);8-10,14H,7H2,1-5H3,(H,22,28);6-7H,8H2,1-5H3,(H,22,27);5-7H,1-3H3,(H,25,28);3-4,7H,5-6H2,1-2H3,(H,22,27);5-7,10H,4H2,1-3H3,(H,18,24)/t2*14-;;;;10-/m11...1/s1
• InChIKey: IRXHKWNPIKSCNQ-UGJZNEMUSA-N
• XLogP: 17.36
• TPSA: 620.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.19
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 165004116) is (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2nc(Oc3ccc4c(c3)CCO4)nnc2C(F)(F)F)C1=O.CC[C@H]1NC(=O)N(c2nnc(F)c(Oc3ccc(C)c(OC)c3)n2)C1=O.CC[C@H]1NC(=O)N(c2nnc(F)c(Oc3ccccc3-c3ccccc3)n2)C1=O.Cc1ccc(Oc2nnc(F)c(N3C(=O)NC(C)(C)C3=O)n2)c2c1OCC2(C)C.[C-]#[N+]c1cc(Oc2nc(N3C(=O)NC(C)(C)C3=O)nc(C(F)(F)F)n2)ccc1C.[C-]#[N+]c1ccc(Oc2nc(N3C(=O)N[C@H](CC)C3=O)nnc2C)c(C(C)(C)C)c1.

What is the InChIKey of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is IRXHKWNPIKSCNQ-UGJZNEMUSA-N. The full InChI is InChI=1S/C20H16FN5O3.C20H22N6O3.C19H20FN5O4.C17H13F3N6O3.C17H14F3N5O4.C16H16FN5O4/c1-2-14-18(27)26(20(28)22-14)19-23-17(16(21)24-25-19)29-15-11-7-6-10-13(15)12-8-4-3-5-9-12;1-7-14-17(27)26(19(28)22-14)18-23-16(11(2)24-25-18)29-15-9-8-12(21-6)10-13(15)20(3,4)5;1-9-6-7-10(11-12(9)28-8-18(11,2)3)29-16-21-14(13(20)23-24-16)25-15(26)19(4,5)22-17(25)27;1-8-5-6-9(7-10(8)21-4)29-14-23-11(17(18,19)20)22-13(24-14)26-12(27)16(2,3)25-15(26)28;1-16(2)13(26)25(15(27)22-16)12-11(17(18,19)20)23-24-14(21-12)29-9-3-4-10-8(7-9)5-6-28-10;1-4-10-14(23)22(16(24)18-10)15-19-13(12(17)20-21-15)26-9-6-5-8(2)11(7-9)25-3/h3-11,14H,2H2,1H3,(H,22,28);8-10,14H,7H2,1-5H3,(H,22,28);6-7H,8H2,1-5H3,(H,22,27);5-7H,1-3H3,(H,25,28);3-4,7H,5-6H2,1-2H3,(H,22,27);5-7,10H,4H2,1-3H3,(H,18,24)/t2*14-;;;;10-/m11...1/s1.

What are the key properties of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?

(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 2366.19 g/mol, XLogP of 17.36, 23 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 165004116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).