5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane

C200H316N62O20 — CID 162282958

IUPAC5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2[nH]c(=O)[nH]c(=O)c21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)=NC(=O)CC=2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2n[nH]nc2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1cnc2oncc2c1=O.CC(C)(C)n1cnn2cncc2c1=O.CC(C)(C)n1cnn2nccc2c1=O.CC(C)(C)n1ncc2[nH]cnc2c1=O.CC(C)(C)n1ncc2cnccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)(C)n1ncc2ncncc21.CC(C)(C)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C12H14N2O2.C11H13N3O2.4C11H13N3O.C9H12N4O2.6C9H12N4O.C9H12N4.C9H11N3O2.2C8H11N5O.18C2H6/c1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)14-6-12-7-4-5-8(15)13-9(7)10(14)16;1-11(2,3)14-10(15)9-4-5-12-6-8(9)7-13-14;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-9(2,3)13-4-10-6-5(13)7(14)12-8(15)11-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;1-9(2,3)12-6-11-13-5-10-4-7(13)8(12)14;1-9(2,3)13-8(14)7-6(4-12-13)10-5-11-7;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)12-6-11-13-7(8(12)14)4-5-10-13;1-9(2,3)13-8-5-10-6-11-7(8)4-12-13;1-9(2,3)12-5-10-7-6(8(12)13)4-11-14-7;1-8(2,3)13-4-9-6-5(7(13)14)10-12-11-6;1-8(2,3)13-7(14)5-6(11-12-13)10-4-9-5;18*1-2/h4-8H,1-3H3;4,6H,5H2,1-3H3;4*4-7H,1-3H3;4H,1-3H3,(H2,11,12,14,15);4-5H,1-3H3,(H,10,11);4-6H,1-3H3;4-5H,1-3H3,(H,10,11);2*4-5H,1-3H3,(H,11,12);4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3,(H,10,11,12);4H,1-3H3,(H,9,10);18*1-2H3
InChIKeyAVQMATPRLKCSKM-UHFFFAOYSA-N
MW3909.14 g/mol
LogP33.42
Rot. Bonds

About 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane

5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane (PubChem CID 162282958) has the molecular formula C200H316N62O20 and a molecular weight of 3909.14 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane.

Molecular Properties

Compound Name5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane
PubChem CID162282958
Molecular FormulaC200H316N62O20
Molecular Weight3909.14 g/mol
Exact Mass3906.56
IUPAC Name5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2[nH]c(=O)[nH]c(=O)c21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)=NC(=O)CC=2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2n[nH]nc2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1cnc2oncc2c1=O.CC(C)(C)n1cnn2cncc2c1=O.CC(C)(C)n1cnn2nccc2c1=O.CC(C)(C)n1ncc2[nH]cnc2c1=O.CC(C)(C)n1ncc2cnccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)(C)n1ncc2ncncc21.CC(C)(C)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C12H14N2O2.C11H13N3O2.4C11H13N3O.C9H12N4O2.6C9H12N4O.C9H12N4.C9H11N3O2.2C8H11N5O.18C2H6/c1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)14-6-12-7-4-5-8(15)13-9(7)10(14)16;1-11(2,3)14-10(15)9-4-5-12-6-8(9)7-13-14;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-9(2,3)13-4-10-6-5(13)7(14)12-8(15)11-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;1-9(2,3)12-6-11-13-5-10-4-7(13)8(12)14;1-9(2,3)13-8(14)7-6(4-12-13)10-5-11-7;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)12-6-11-13-7(8(12)14)4-5-10-13;1-9(2,3)13-8-5-10-6-11-7(8)4-12-13;1-9(2,3)12-5-10-7-6(8(12)13)4-11-14-7;1-8(2,3)13-4-9-6-5(7(13)14)10-12-11-6;1-8(2,3)13-7(14)5-6(11-12-13)10-4-9-5;18*1-2/h4-8H,1-3H3;4,6H,5H2,1-3H3;4*4-7H,1-3H3;4H,1-3H3,(H2,11,12,14,15);4-5H,1-3H3,(H,10,11);4-6H,1-3H3;4-5H,1-3H3,(H,10,11);2*4-5H,1-3H3,(H,11,12);4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3,(H,10,11,12);4H,1-3H3,(H,9,10);18*1-2H3
InChIKeyAVQMATPRLKCSKM-UHFFFAOYSA-N
XLogP33.42
TPSA998.56 Ų
H-Bond Donors8
H-Bond Acceptors73
Rotatable Bonds
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003909.14
LogP ≤ 533.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1073

Analyze 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one
CID 161480582
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 162246574
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
2-amino-9-propan-2-yl-1H-purin-6-one;6-chloro-7-propan-2-ylpurine;6-chloro-9-propan-2-ylpurine;N-(furan-2-ylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-4H-furo[3,2-b]quinoxaline;3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(1-propan-2-ylbenzimidazole);1-propan-2-ylbenzotriazole;9-propan-2-yl-4H-furo[3,2-b]quinoxaline;1-propan-2-ylimidazo[4,5-b]pyridine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurin-6-amine;7-propan-2-ylpurine;9-propan-2-ylpurine;7-propan-2-yl-3H-purine-2,6-dione;9-propan-2-yl-3H-purin-2-one;1-propan-2-ylpyrazolo[5,4-b]pyridine;9-propan-2-ylpyrimido[4,5-b]indol-2-amine
CID 159235612
ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 167690423
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157339352
3-tert-butyl-3a,7a-dihydrotriazolo[4,5-d]pyrimidine;1-tert-butylbenzimidazole;1-tert-butylimidazo[4,5-c]pyridine;7-tert-butylimidazo[2,1-f][1,2,4]triazine;bis(9-tert-butylpurine);8-tert-butylpyrazolo[1,5-a][1,3,5]triazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;3-tert-butyltriazolo[4,5-b]pyridine;bis(1-tert-butyltriazolo[4,5-c]pyridine)
CID 158308275
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;cinnoline;6H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
CID 163509939
6-tert-butyl-1H-imidazo[4,5-b]pyridine;7-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butylimidazo[4,5-c]pyridine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;5-tert-butylimidazo[4,5-c]pyridine;6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butylpyrazolo[1,5-a]pyrimidine
CID 167613975
3,7-dihydropurine-2,6-dione;quinazoline
CID 158880435
1-tert-butylindazole;tetrakis(2,2-dimethylpropane);ethane;9-methylpurine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;quinoline
CID 157419751
cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine
CID 157407086

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane?
The IUPAC name of 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane (CID 162282958) is 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane.
What is the SMILES notation for 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane?
The canonical SMILES for 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2[nH]c(=O)[nH]c(=O)c21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)=NC(=O)CC=2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2n[nH]nc2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1cnc2oncc2c1=O.CC(C)(C)n1cnn2cncc2c1=O.CC(C)(C)n1cnn2nccc2c1=O.CC(C)(C)n1ncc2[nH]cnc2c1=O.CC(C)(C)n1ncc2cnccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)(C)n1ncc2ncncc21.CC(C)(C)n1nnc2nc[nH]c2c1=O.
What is the InChIKey of 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane?
The InChIKey is AVQMATPRLKCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C11H13N3O2.4C11H13N3O.C9H12N4O2.6C9H12N4O.C9H12N4.C9H11N3O2.2C8H11N5O.18C2H6/c1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)14-6-12-7-4-5-8(15)13-9(7)10(14)16;1-11(2,3)14-10(15)9-4-5-12-6-8(9)7-13-14;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-9(2,3)13-4-10-6-5(13)7(14)12-8(15)11-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;1-9(2,3)12-6-11-13-5-10-4-7(13)8(12)14;1-9(2,3)13-8(14)7-6(4-12-13)10-5-11-7;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)12-6-11-13-7(8(12)14)4-5-10-13;1-9(2,3)13-8-5-10-6-11-7(8)4-12-13;1-9(2,3)12-5-10-7-6(8(12)13)4-11-14-7;1-8(2,3)13-4-9-6-5(7(13)14)10-12-11-6;1-8(2,3)13-7(14)5-6(11-12-13)10-4-9-5;18*1-2/h4-8H,1-3H3;4,6H,5H2,1-3H3;4*4-7H,1-3H3;4H,1-3H3,(H2,11,12,14,15);4-5H,1-3H3,(H,10,11);4-6H,1-3H3;4-5H,1-3H3,(H,10,11);2*4-5H,1-3H3,(H,11,12);4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3,(H,10,11,12);4H,1-3H3,(H,9,10);18*1-2H3.
What are the key properties of 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane?
5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane has a molecular weight of 3909.14 g/mol, XLogP of 33.42, 0 rotatable bonds, 8 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-imidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;3-tert-butylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;7-tert-butyl-3H-purine-2,6-dione;1-tert-butyl-7H-purin-6-one;1-tert-butylpyrazolo[4,3-d]pyrimidine;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;3-tert-butylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;2-tert-butylpyrido[3,4-d]pyridazin-1-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butyl-7H-pyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-2H-triazolo[4,5-d]pyrimidin-7-one;ethane is sourced from PubChem (CID 162282958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).