4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole

C77H130N20O2S2 — CID 158383278

About 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole

4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158383278) has the molecular formula C77H130N20O2S2 and a molecular weight of 1432.16 g/mol. Its IUPAC name is 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
• PubChem CID: 158383278
• Molecular Formula: C77H130N20O2S2
• Molecular Weight: 1432.16 g/mol
• Exact Mass: 1431.01
• IUPAC Name: 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
• SMILES: CC(C)(C)C1=CCN=C1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1nncn1C.Cc1ncc(C(C)C)n1C.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)n1C.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1
• InChI: InChI=1S/2C8H14N2.C8H13N.2C7H13N3.C7H12N2.C7H11NO.C7H11NS.C6H11N3.C6H9NO.C6H9NS/c1-8(2,3)7-5-9-10(4)6-7;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-5-10(4)9-8-6;1-5(2)7-9-8-6(3)10(7)4;1-6(2)7-4-8-5-9(7)3;2*1-5(2)7-4-8-6(3)9-7;1-5(2)6-8-7-4-9(6)3;2*1-5(2)6-3-7-4-8-6/h2*5-6H,1-4H3;4,6H,5H2,1-3H3;2*5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;2*3-5H,1-2H3
• InChIKey: GWBCMPXXKKVGCK-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 235.79 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.16
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?

The IUPAC name of 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole (CID 158383278) is 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?

The canonical SMILES for 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole is CC(C)(C)C1=CCN=C1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1nncn1C.Cc1ncc(C(C)C)n1C.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)n1C.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1.

What is the InChIKey of 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?

The InChIKey is GWBCMPXXKKVGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.C8H13N.2C7H13N3.C7H12N2.C7H11NO.C7H11NS.C6H11N3.C6H9NO.C6H9NS/c1-8(2,3)7-5-9-10(4)6-7;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-5-10(4)9-8-6;1-5(2)7-9-8-6(3)10(7)4;1-6(2)7-4-8-5-9(7)3;2*1-5(2)7-4-8-6(3)9-7;1-5(2)6-8-7-4-9(6)3;2*1-5(2)6-3-7-4-8-6/h2*5-6H,1-4H3;4,6H,5H2,1-3H3;2*5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;2*3-5H,1-2H3.

What are the key properties of 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole?

4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1432.16 g/mol, XLogP of 19.20, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158383278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).