5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane

C190H342N46O17S — CID 162282971

About 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane

5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane (PubChem CID 162282971) has the molecular formula C190H342N46O17S and a molecular weight of 3575.20 g/mol. Its IUPAC name is 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane.

Molecular Properties

• Compound Name: 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane
• PubChem CID: 162282971
• Molecular Formula: C190H342N46O17S
• Molecular Weight: 3575.20 g/mol
• Exact Mass: 3572.70
• IUPAC Name: 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C(=O)Cc2[nH]cnc2C1=O.CC(C)(C)N1C=NC2NC(=O)NC2C1=O.CC(C)(C)n1cc2ccccn2c1=O.CC(C)(C)n1ccc2n[nH]nc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cccnc21.CC(C)(C)n1cnc2nccnc21.CC(C)(C)n1cnc2ncncc21.CC(C)(C)n1cnc2ncoc2c1=O.CC(C)(C)n1cnc2ncsc2c1=O.CC(C)(C)n1cnc2oc(=O)[nH]c2c1=O.CC(C)(C)n1ncc2n[nH]nc2c1=O
• InChI: InChI=1S/C12H16N2O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C10H13N3.C9H14N4O2.C9H12N4O.2C9H12N4.C9H11N3O3.C9H11N3O2.C9H11N3OS.C8H11N5O.27C2H6/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-10(15)8-5-4-6-12-9(8)14;1-11(2,3)13-8-9-6-4-5-7-12(9)10(13)14;1-10(2,3)13-7(14)4-6-8(9(13)15)12-5-11-6;1-10(2,3)13-7-12-8-5-4-6-11-9(8)13;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-6-12-8-7(13)4-10-5-11-8;1-9(2,3)13-6-12-7-8(13)11-5-4-10-7;1-9(2,3)12-4-10-6-5(7(12)13)11-8(14)15-6;2*1-9(2,3)12-4-10-7-6(8(12)13)14-5-11-7;1-8(2,3)13-7(14)6-5(4-9-13)10-12-11-6;27*1-2/h7H,4-6H2,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4-7H,1-3H3;4-6H,1-3H3,(H2,11,12,15);4-5H,1-3H3,(H,10,11,12);2*4-6H,1-3H3;4H,1-3H3,(H,11,14);2*4-5H,1-3H3;4H,1-3H3,(H,10,11,12);27*1-2H3
• InChIKey: PCYDATUJEUOWRT-UHFFFAOYSA-N
• XLogP: 42.88
• TPSA: 760.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 56
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3575.20
LogP ≤ 5	42.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane?

The IUPAC name of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane (CID 162282971) is 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane.

What is the SMILES notation for 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane?

The canonical SMILES for 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C(=O)Cc2[nH]cnc2C1=O.CC(C)(C)N1C=NC2NC(=O)NC2C1=O.CC(C)(C)n1cc2ccccn2c1=O.CC(C)(C)n1ccc2n[nH]nc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cccnc21.CC(C)(C)n1cnc2nccnc21.CC(C)(C)n1cnc2ncncc21.CC(C)(C)n1cnc2ncoc2c1=O.CC(C)(C)n1cnc2ncsc2c1=O.CC(C)(C)n1cnc2oc(=O)[nH]c2c1=O.CC(C)(C)n1ncc2n[nH]nc2c1=O.

What is the InChIKey of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane?

The InChIKey is PCYDATUJEUOWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C10H13N3.C9H14N4O2.C9H12N4O.2C9H12N4.C9H11N3O3.C9H11N3O2.C9H11N3OS.C8H11N5O.27C2H6/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-10(15)8-5-4-6-12-9(8)14;1-11(2,3)13-8-9-6-4-5-7-12(9)10(13)14;1-10(2,3)13-7(14)4-6-8(9(13)15)12-5-11-6;1-10(2,3)13-7-12-8-5-4-6-11-9(8)13;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-6-12-8-7(13)4-10-5-11-8;1-9(2,3)13-6-12-7-8(13)11-5-4-10-7;1-9(2,3)12-4-10-6-5(7(12)13)11-8(14)15-6;2*1-9(2,3)12-4-10-7-6(8(12)13)14-5-11-7;1-8(2,3)13-7(14)6-5(4-9-13)10-12-11-6;27*1-2/h7H,4-6H2,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4-7H,1-3H3;4-6H,1-3H3,(H2,11,12,15);4-5H,1-3H3,(H,10,11,12);2*4-6H,1-3H3;4H,1-3H3,(H,11,14);2*4-5H,1-3H3;4H,1-3H3,(H,10,11,12);27*1-2H3.

What are the key properties of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane?

5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane has a molecular weight of 3575.20 g/mol, XLogP of 42.88, 0 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane is sourced from PubChem (CID 162282971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).