1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole

C166H297N39O4S4 — CID 161239486

About 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole

1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole (PubChem CID 161239486) has the molecular formula C166H297N39O4S4 and a molecular weight of 3031.74 g/mol. Its IUPAC name is 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 161239486
• Molecular Formula: C166H297N39O4S4
• Molecular Weight: 3031.74 g/mol
• Exact Mass: 3029.31
• IUPAC Name: 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccno1.CC(C)(C)c1ncncn1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cnco1.Cn1ccc(C(C)(C)C)n1.Cn1cccc1.Cn1ccnc1.Cn1ccnc1C(C)(C)C.Cn1nncc1C(C)(C)C.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cscn1.c1cscn1.c1nc[nH]n1
• InChI: InChI=1S/2C8H14N2.C7H11N3.C7H13N3.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.C6H10N2S.C5H7N.C5H5N.8C5H12.C4H6N2.3C4H4N2.C4H5NO.C4H4O.C4H4S.4C4H10.2C3H3NS.2C2H3N3/c1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-9-10(6)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-4-7-8-9;2*1-6(2,3)5-8-7-4-9-5;1-6-4-2-3-5-6;1-2-4-6-5-3-1;8*1-5(2,3)4;1-6-3-2-5-4-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-5-3-6-4;2*1-2-4-5-3-1;4*1-4(2)3;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1/h2*5-6H,1-4H3;4-5H,1-3H3;5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3;2*4H,1-3H3;2-5H,1H3;1-5H;8*1-4H3;2-4H,1H3;3*1-4H;2-3H,1H3;2*1-4H;4*4H,1-3H3;2*1-3H;2*1-2H,(H,3,4,5)
• InChIKey: UZUQSHYYQLMXQR-UHFFFAOYSA-N
• XLogP: 46.49
• TPSA: 505.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3031.74
LogP ≤ 5	46.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole (CID 161239486) is 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccno1.CC(C)(C)c1ncncn1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cnco1.Cn1ccc(C(C)(C)C)n1.Cn1cccc1.Cn1ccnc1.Cn1ccnc1C(C)(C)C.Cn1nncc1C(C)(C)C.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cscn1.c1cscn1.c1nc[nH]n1.

What is the InChIKey of 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole?

The InChIKey is UZUQSHYYQLMXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.C7H11N3.C7H13N3.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.C6H10N2S.C5H7N.C5H5N.8C5H12.C4H6N2.3C4H4N2.C4H5NO.C4H4O.C4H4S.4C4H10.2C3H3NS.2C2H3N3/c1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-9-10(6)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-4-7-8-9;2*1-6(2,3)5-8-7-4-9-5;1-6-4-2-3-5-6;1-2-4-6-5-3-1;8*1-5(2,3)4;1-6-3-2-5-4-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-5-3-6-4;2*1-2-4-5-3-1;4*1-4(2)3;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1/h2*5-6H,1-4H3;4-5H,1-3H3;5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3;2*4H,1-3H3;2-5H,1H3;1-5H;8*1-4H3;2-4H,1H3;3*1-4H;2-3H,1H3;2*1-4H;4*4H,1-3H3;2*1-3H;2*1-2H,(H,3,4,5).

What are the key properties of 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole?

1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole has a molecular weight of 3031.74 g/mol, XLogP of 46.49, 0 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 161239486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).