1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

C40H56N20OS — CID 162095956

About 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 162095956) has the molecular formula C40H56N20OS and a molecular weight of 865.09 g/mol. Its IUPAC name is 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 162095956
• Molecular Formula: C40H56N20OS
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.47
• IUPAC Name: 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
• SMILES: Cc1ccccn1.Cc1cccnc1.Cc1conn1.Cc1csnn1.Cc1ncn[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1
• InChI: InChI=1S/2C6H7N.C5H7N.2C4H6N2.3C3H5N3.C3H4N2O.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;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;2*1-3-2-6-5-4-3/h2*2-5H,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3
• InChIKey: ZEGBAINYYMDFOI-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 234.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.09
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

The IUPAC name of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (CID 162095956) is 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1conn1.Cc1csnn1.Cc1ncn[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.

What is the InChIKey of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

The InChIKey is ZEGBAINYYMDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C5H7N.2C4H6N2.3C3H5N3.C3H4N2O.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;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;2*1-3-2-6-5-4-3/h2*2-5H,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3.

What are the key properties of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 865.09 g/mol, XLogP of 5.61, 0 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 162095956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).