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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane

C269H484N70O26S2 — CID 162271400

IUPAC5-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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane
SMILESC.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.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)n1ccc2nc(=O)ccn2c1=O.CC(C)(C)n1ccn2cnc(=O)cc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2[nH]c(=O)[nH]c(=O)c21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=S.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.CC(C)(C)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C12H16N2O2.2C11H13N3O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C9H12N4O2.C9H14N4O2.3C9H12N4O.C9H12N4S.2C9H12N4.C9H11N3O3.C9H11N3O2.C9H11N3OS.2C8H11N5O.38C2H6.CH4/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-4-8-12-9(15)5-6-13(8)10(14)16;1-11(2,3)14-5-4-13-7-12-9(15)6-8(13)10(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;1-9(2,3)13-4-10-6-5(13)7(14)12-8(15)11-6;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-10-6-4-11-12-7(6)8(13)14;1-9(2,3)13-5-10-7-6(8(13)14)4-11-12-7;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;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)5-6(11-12-13)10-4-9-5;1-8(2,3)13-7(14)6-5(4-9-13)10-12-11-6;38*1-2;/h7H,4-6H2,1-3H3;2*4-7H,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4H,1-3H3,(H2,11,12,14,15);4-6H,1-3H3,(H2,11,12,15);2*4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3;4H,1-3H3,(H,11,14);2*4-5H,1-3H3;4H,1-3H3,(H,9,10);4H,1-3H3,(H,10,11,12);38*1-2H3;1H4
InChIKeyRWMXIIBQTLFPHG-UHFFFAOYSA-N
MW5179.43 g/mol
LogP58.27
Rot. Bonds

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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane

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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane (PubChem CID 162271400) has the molecular formula C269H484N70O26S2 and a molecular weight of 5179.43 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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane.

Molecular Properties

Compound Name5-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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane
PubChem CID162271400
Molecular FormulaC269H484N70O26S2
Molecular Weight5179.43 g/mol
Exact Mass5175.81
IUPAC Name5-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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane
SMILESC.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.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)n1ccc2nc(=O)ccn2c1=O.CC(C)(C)n1ccn2cnc(=O)cc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2[nH]c(=O)[nH]c(=O)c21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=S.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.CC(C)(C)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C12H16N2O2.2C11H13N3O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C9H12N4O2.C9H14N4O2.3C9H12N4O.C9H12N4S.2C9H12N4.C9H11N3O3.C9H11N3O2.C9H11N3OS.2C8H11N5O.38C2H6.CH4/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-4-8-12-9(15)5-6-13(8)10(14)16;1-11(2,3)14-5-4-13-7-12-9(15)6-8(13)10(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;1-9(2,3)13-4-10-6-5(13)7(14)12-8(15)11-6;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-10-6-4-11-12-7(6)8(13)14;1-9(2,3)13-5-10-7-6(8(13)14)4-11-12-7;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;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)5-6(11-12-13)10-4-9-5;1-8(2,3)13-7(14)6-5(4-9-13)10-12-11-6;38*1-2;/h7H,4-6H2,1-3H3;2*4-7H,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4H,1-3H3,(H2,11,12,14,15);4-6H,1-3H3,(H2,11,12,15);2*4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3;4H,1-3H3,(H,11,14);2*4-5H,1-3H3;4H,1-3H3,(H,9,10);4H,1-3H3,(H,10,11,12);38*1-2H3;1H4
InChIKeyRWMXIIBQTLFPHG-UHFFFAOYSA-N
XLogP58.27
TPSA1176.13 Ų
H-Bond Donors13
H-Bond Acceptors84
Rotatable Bonds
Heavy Atoms367
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005179.43
LogP ≤ 558.27
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1084

Analyze 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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane?
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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane (CID 162271400) 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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane.
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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane?
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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane is C.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.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)n1ccc2nc(=O)ccn2c1=O.CC(C)(C)n1ccn2cnc(=O)cc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2[nH]c(=O)[nH]c(=O)c21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=S.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.CC(C)(C)n1nnc2nc[nH]c2c1=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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane?
The InChIKey is RWMXIIBQTLFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.2C11H13N3O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C9H12N4O2.C9H14N4O2.3C9H12N4O.C9H12N4S.2C9H12N4.C9H11N3O3.C9H11N3O2.C9H11N3OS.2C8H11N5O.38C2H6.CH4/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-4-8-12-9(15)5-6-13(8)10(14)16;1-11(2,3)14-5-4-13-7-12-9(15)6-8(13)10(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;1-9(2,3)13-4-10-6-5(13)7(14)12-8(15)11-6;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-10-6-4-11-12-7(6)8(13)14;1-9(2,3)13-5-10-7-6(8(13)14)4-11-12-7;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;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)5-6(11-12-13)10-4-9-5;1-8(2,3)13-7(14)6-5(4-9-13)10-12-11-6;38*1-2;/h7H,4-6H2,1-3H3;2*4-7H,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4H,1-3H3,(H2,11,12,14,15);4-6H,1-3H3,(H2,11,12,15);2*4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3;4H,1-3H3,(H,11,14);2*4-5H,1-3H3;4H,1-3H3,(H,9,10);4H,1-3H3,(H,10,11,12);38*1-2H3;1H4.
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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane?
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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane has a molecular weight of 5179.43 g/mol, XLogP of 58.27, 0 rotatable bonds, 13 hydrogen bond donors, and 84 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-butyl-5H-imidazo[4,5-d]triazin-4-one;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;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;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;methane is sourced from PubChem (CID 162271400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).