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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole

C72H122N22O2S2 — CID 157169197

About 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole

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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole (PubChem CID 157169197) has the molecular formula C72H122N22O2S2 and a molecular weight of 1392.05 g/mol. Its IUPAC name is 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole
• PubChem CID: 157169197
• Molecular Formula: C72H122N22O2S2
• Molecular Weight: 1392.05 g/mol
• Exact Mass: 1390.96
• IUPAC Name: 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole
• SMILES: CC(C)C1=CCN=C1.CC(C)c1cn(C)nn1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.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
• InChI: InChI=1S/C8H14N2.C7H13N3.2C7H12N2.C7H11NO.C7H11N.2C6H11N3.C6H10N2S.C6H9NO.C5H8N2S/c1-6(2)8-5-9-7(3)10(8)4;1-5(2)7-9-8-6(3)10(7)4;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-4-9(3)8-7-6;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/h5-6H,1-4H3;5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3
• InChIKey: ANGKGQCVNWHVEF-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 261.57 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1392.05
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole?

The IUPAC name of 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole (CID 157169197) is 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole.

What is the SMILES notation for 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole?

The canonical SMILES for 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole is CC(C)C1=CCN=C1.CC(C)c1cn(C)nn1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.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.

What is the InChIKey of 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole?

The InChIKey is ANGKGQCVNWHVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H13N3.2C7H12N2.C7H11NO.C7H11N.2C6H11N3.C6H10N2S.C6H9NO.C5H8N2S/c1-6(2)8-5-9-7(3)10(8)4;1-5(2)7-9-8-6(3)10(7)4;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-4-9(3)8-7-6;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/h5-6H,1-4H3;5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole?

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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 1392.05 g/mol, XLogP of 17.25, 11 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 157169197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).