1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole

C84H146N26O2S2 — CID 158241295

About 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole

1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 158241295) has the molecular formula C84H146N26O2S2 and a molecular weight of 1616.41 g/mol. Its IUPAC name is 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole
• PubChem CID: 158241295
• Molecular Formula: C84H146N26O2S2
• Molecular Weight: 1616.41 g/mol
• Exact Mass: 1615.16
• IUPAC Name: 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)c1nccn1C.CC(C)c1ncnn1C.Cc1cnc(C)n1C(C)C.Cc1cnn(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1ncnn1C(C)C.Cc1nnc(C)n1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nocc1C(C)C.Cc1nonc1C(C)C.Cc1nsc(C)c1C(C)C.Cc1nsnc1C(C)C
• InChI: InChI=1S/3C8H14N2.C8H13NS.2C7H13N3.C7H12N2.C7H11NO.2C6H11N3.C6H10N2O.C6H10N2S/c1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-7(3)5-9-10(8)4;1-6(2)10-7(3)5-9-8(10)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)10-6(3)8-9-7(10)4;1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)6-7-4-8-9(6)3;1-5(2)9-6(3)7-4-8-9;2*1-4(2)6-5(3)7-9-8-6/h3*5-6H,1-4H3;3*5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;2*4H,1-3H3
• InChIKey: GFOMFUNQYGYBLJ-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 297.74 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.41
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole?

The IUPAC name of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole (CID 158241295) is 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole is CC(C)c1nccn1C.CC(C)c1ncnn1C.Cc1cnc(C)n1C(C)C.Cc1cnn(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1ncnn1C(C)C.Cc1nnc(C)n1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nocc1C(C)C.Cc1nonc1C(C)C.Cc1nsc(C)c1C(C)C.Cc1nsnc1C(C)C.

What is the InChIKey of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole?

The InChIKey is GFOMFUNQYGYBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H14N2.C8H13NS.2C7H13N3.C7H12N2.C7H11NO.2C6H11N3.C6H10N2O.C6H10N2S/c1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-7(3)5-9-10(8)4;1-6(2)10-7(3)5-9-8(10)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)10-6(3)8-9-7(10)4;1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)6-7-4-8-9(6)3;1-5(2)9-6(3)7-4-8-9;2*1-4(2)6-5(3)7-9-8-6/h3*5-6H,1-4H3;3*5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;2*4H,1-3H3.

What are the key properties of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole?

1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 1616.41 g/mol, XLogP of 20.62, 12 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158241295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).