5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole

C48H62N22O3S3 — CID 158972034

About 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole

5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole (PubChem CID 158972034) has the molecular formula C48H62N22O3S3 and a molecular weight of 1091.38 g/mol. Its IUPAC name is 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole
• PubChem CID: 158972034
• Molecular Formula: C48H62N22O3S3
• Molecular Weight: 1091.38 g/mol
• Exact Mass: 1090.45
• IUPAC Name: 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole
• SMILES: Cc1ccccn1.Cc1cccnc1.Cc1ccncn1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1conn1.Cc1csnn1.Cc1ncn[nH]1.Cc1ncncn1.Cc1ncon1.Cc1ncsn1
• InChI: InChI=1S/2C6H7N.C5H6N2.C4H5N3.C4H6N2.C4H5NO.C4H5NS.C3H5N3.2C3H4N2O.2C3H4N2S/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;2*1-4-2-5-6-3-4;1-3-4-2-5-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3/h2*2-5H,1H3;2-4H,1H3;2-3H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3
• InChIKey: JNXWYVMJVYOXFL-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 328.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.38
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole?

The IUPAC name of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole (CID 158972034) is 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1ccncn1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1conn1.Cc1csnn1.Cc1ncn[nH]1.Cc1ncncn1.Cc1ncon1.Cc1ncsn1.

What is the InChIKey of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole?

The InChIKey is JNXWYVMJVYOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C5H6N2.C4H5N3.C4H6N2.C4H5NO.C4H5NS.C3H5N3.2C3H4N2O.2C3H4N2S/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;2*1-4-2-5-6-3-4;1-3-4-2-5-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3/h2*2-5H,1H3;2-4H,1H3;2-3H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3.

What are the key properties of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole?

5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole has a molecular weight of 1091.38 g/mol, XLogP of 9.46, 0 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158972034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).