1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C48H65N21O3S2 — CID 159728061

About 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 159728061) has the molecular formula C48H65N21O3S2 and a molecular weight of 1048.33 g/mol. Its IUPAC name is 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
• PubChem CID: 159728061
• Molecular Formula: C48H65N21O3S2
• Molecular Weight: 1048.33 g/mol
• Exact Mass: 1047.50
• IUPAC Name: 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
• SMILES: Cc1ccccn1.Cc1cccnc1.Cc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1
• InChI: InChI=1S/2C6H7N.C5H7N.2C4H6N2.C4H5NO.C4H5NS.2C3H5N3.2C3H4N2O.C3H4N2S/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2*2-5H,1H3;2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;3*2H,1H3
• InChIKey: NAWNXOARJCKBTL-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 270.31 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1048.33
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The IUPAC name of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 159728061) is 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

What is the SMILES notation for 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The canonical SMILES for 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.

What is the InChIKey of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The InChIKey is NAWNXOARJCKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C5H7N.2C4H6N2.C4H5NO.C4H5NS.2C3H5N3.2C3H4N2O.C3H4N2S/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2*2-5H,1H3;2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;3*2H,1H3.

What are the key properties of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 1048.33 g/mol, XLogP of 8.31, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 159728061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).