1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)

C226H487N49O15S3 — CID 157184570

About 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)

1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole) (PubChem CID 157184570) has the molecular formula C226H487N49O15S3 and a molecular weight of 4227.91 g/mol. Its IUPAC name is 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole).

Molecular Properties

• Compound Name: 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)
• PubChem CID: 157184570
• Molecular Formula: C226H487N49O15S3
• Molecular Weight: 4227.91 g/mol
• Exact Mass: 4224.80
• IUPAC Name: 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)
• 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(C)(C)C.CC(C)(C)n1cncn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=NCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1N=CCC1=O.CC(C)n1cccn1.CC(C)n1ccn(C)c1=O.CC(C)n1ccn(C)c1=O.CC(C)n1ccnc1.CN1C=NCC1=O.CN1N=CCC1=O.Cn1cccn1.Cn1ccn(C)c1=O.Cn1ccnc1.Cn1cncn1.Cn1cnn(C)c1=O.Cn1nccn1.O=C1C=NNC1.O=C1CC=NC1.c1cnoc1.c1cocn1.c1cscn1.c1cscn1.c1ncon1.c1nnco1.c1nncs1
• InChI: InChI=1S/C7H14N2O.2C7H12N2O.C6H11N3.2C6H10N2O.2C6H10N2.C5H8N2O.C5H12.C4H7N3O.2C4H6N2O.2C4H6N2.C4H5NO.16C4H10.2C3H5N3.C3H4N2O.2C3H3NO.2C3H3NS.2C2H2N2O.C2H2N2S.25C2H6/c3*1-6(2)9-5-4-8(3)7(9)10;1-6(2,3)9-5-7-4-8-9;1-5(2)8-4-7-3-6(8)9;1-5(2)8-6(9)3-4-7-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-6-3-4-7(2)5(6)8;1-5(2,3)4;1-6-3-5-7(2)4(6)8;1-6-3-5-2-4(6)7;1-6-4(7)2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;6-4-1-2-5-3-4;16*1-4(2)3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;6-3-1-4-5-2-3;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;25*1-2/h6H,4-5H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2*4-5H,3H2,1-2H3;2*3-6H,1-2H3;3-4H,1-2H3;1-4H3;3H,1-2H3;2*3H,2H2,1H3;2*2-4H,1H3;2H,1,3H2;16*4H,1-3H3;2*2-3H,1H3;1,5H,2H2;4*1-3H;3*1-2H;25*1-2H3
• InChIKey: AOYVAXVIKXGJTM-UHFFFAOYSA-N
• XLogP: 63.56
• TPSA: 690.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 61
• Rotatable Bonds: 7
• Heavy Atoms: 293
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4227.91
LogP ≤ 5	63.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)?

The IUPAC name of 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole) (CID 157184570) is 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole).

What is the SMILES notation for 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)?

The canonical SMILES for 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole) 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(C)(C)C.CC(C)(C)n1cncn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=NCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1N=CCC1=O.CC(C)n1cccn1.CC(C)n1ccn(C)c1=O.CC(C)n1ccn(C)c1=O.CC(C)n1ccnc1.CN1C=NCC1=O.CN1N=CCC1=O.Cn1cccn1.Cn1ccn(C)c1=O.Cn1ccnc1.Cn1cncn1.Cn1cnn(C)c1=O.Cn1nccn1.O=C1C=NNC1.O=C1CC=NC1.c1cnoc1.c1cocn1.c1cscn1.c1cscn1.c1ncon1.c1nnco1.c1nncs1.

What is the InChIKey of 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)?

The InChIKey is AOYVAXVIKXGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C7H12N2O.C6H11N3.2C6H10N2O.2C6H10N2.C5H8N2O.C5H12.C4H7N3O.2C4H6N2O.2C4H6N2.C4H5NO.16C4H10.2C3H5N3.C3H4N2O.2C3H3NO.2C3H3NS.2C2H2N2O.C2H2N2S.25C2H6/c3*1-6(2)9-5-4-8(3)7(9)10;1-6(2,3)9-5-7-4-8-9;1-5(2)8-4-7-3-6(8)9;1-5(2)8-6(9)3-4-7-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-6-3-4-7(2)5(6)8;1-5(2,3)4;1-6-3-5-7(2)4(6)8;1-6-3-5-2-4(6)7;1-6-4(7)2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;6-4-1-2-5-3-4;16*1-4(2)3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;6-3-1-4-5-2-3;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;25*1-2/h6H,4-5H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2*4-5H,3H2,1-2H3;2*3-6H,1-2H3;3-4H,1-2H3;1-4H3;3H,1-2H3;2*3H,2H2,1H3;2*2-4H,1H3;2H,1,3H2;16*4H,1-3H3;2*2-3H,1H3;1,5H,2H2;4*1-3H;3*1-2H;25*1-2H3.

What are the key properties of 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole)?

1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole) has a molecular weight of 4227.91 g/mol, XLogP of 63.56, 7 rotatable bonds, 1 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-1,2,4-triazole;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;1-methylimidazole;1-methyl-4H-imidazol-5-one;hexadecakis(2-methylpropane);1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-yl-4H-imidazol-5-one;1-propan-2-ylpyrazole;2-propan-2-yl-4H-pyrazol-3-one;1,3,4-thiadiazole;bis(1,3-thiazole) is sourced from PubChem (CID 157184570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).