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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole

C75H128N22O2S2 — CID 162127243

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole (PubChem CID 162127243) has the molecular formula C75H128N22O2S2 and a molecular weight of 1434.13 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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole.

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole
• PubChem CID: 162127243
• Molecular Formula: C75H128N22O2S2
• Molecular Weight: 1434.13 g/mol
• Exact Mass: 1433.00
• 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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole
• SMILES: CC(C)(C)C1=CCN=C1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1nncn1C.CC(C)c1nncs1.Cc1ncc(C(C)C)n1C.Cc1ncc(C(C)C)o1.Cc1nnc(C(C)C)n1C.Cc1nnc(C(C)C)s1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1
• InChI: InChI=1S/2C8H14N2.C8H13N.2C7H13N3.C7H12N2.C7H11NO.C6H11N3.C6H10N2S.C6H9NO.C5H8N2S/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;1-5(2)7-4-8-6(3)9-7;1-5(2)6-8-7-4-9(6)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-4(2)5-7-6-3-8-5/h2*5-6H,1-4H3;4,6H,5H2,1-3H3;2*5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3
• InChIKey: ZIEUJVCMXRWCIF-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 261.57 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.13
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole?

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole (CID 162127243) 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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole.

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole?

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole is CC(C)(C)C1=CCN=C1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1nncn1C.CC(C)c1nncs1.Cc1ncc(C(C)C)n1C.Cc1ncc(C(C)C)o1.Cc1nnc(C(C)C)n1C.Cc1nnc(C(C)C)s1.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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole?

The InChIKey is ZIEUJVCMXRWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.C8H13N.2C7H13N3.C7H12N2.C7H11NO.C6H11N3.C6H10N2S.C6H9NO.C5H8N2S/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;1-5(2)7-4-8-6(3)9-7;1-5(2)6-8-7-4-9(6)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-4(2)5-7-6-3-8-5/h2*5-6H,1-4H3;4,6H,5H2,1-3H3;2*5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;3-4H,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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole?

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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 1434.13 g/mol, XLogP of 17.99, 8 rotatable bonds, 0 hydrogen bond donors, and 26 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-1,3,4-thiadiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 162127243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).