1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole

C73H113N21O3S3 — CID 158499325

About 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole

1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole (PubChem CID 158499325) has the molecular formula C73H113N21O3S3 and a molecular weight of 1429.05 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
• PubChem CID: 158499325
• Molecular Formula: C73H113N21O3S3
• Molecular Weight: 1429.05 g/mol
• Exact Mass: 1427.85
• IUPAC Name: 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1nnco1.CC(C)n1ccnc1.CC(C)n1cncn1
• InChI: InChI=1S/C8H11N.C7H12N2.2C7H10N2.C6H10N2.C6H9NO.2C6H9NS.C5H9N3.2C5H8N2O.C5H8N2S/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-7-6-3-8-5;2*1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;4*3-5H,1-2H3;3*3-4H,1-2H3
• InChIKey: HJRSQZVOWTYXTR-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 286.23 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.05
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole (CID 158499325) is 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole.

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

The canonical SMILES for 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole is CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1nnco1.CC(C)n1ccnc1.CC(C)n1cncn1.

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

The InChIKey is HJRSQZVOWTYXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H12N2.2C7H10N2.C6H10N2.C6H9NO.2C6H9NS.C5H9N3.2C5H8N2O.C5H8N2S/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-7-6-3-8-5;2*1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;4*3-5H,1-2H3;3*3-4H,1-2H3.

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

1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole has a molecular weight of 1429.05 g/mol, XLogP of 19.65, 12 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158499325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).