1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole

C₅₀H₆₅N₂₃ — CID 158610803

About 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole

1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole (PubChem CID 158610803) has the molecular formula C₅₀H₆₅N₂₃ and a molecular weight of 988.23 g/mol. Its IUPAC name is 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
• PubChem CID: 158610803
• Molecular Formula: C₅₀H₆₅N₂₃
• Molecular Weight: 988.23 g/mol
• Exact Mass: 987.58
• IUPAC Name: 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
• SMILES: Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1cncnn1.Cc1ncccn1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1
• InChI: InChI=1S/2C6H7N.4C5H6N2.C4H5N3.2C4H6N2.2C3H5N3/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-5-3-6-7-4;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/h2*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;2*2-4H,1H3;2*2-3H,1H3
• InChIKey: HWUURAMQHCVDIF-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 264.63 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	988.23
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole?

The IUPAC name of 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole (CID 158610803) is 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole.

What is the SMILES notation for 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole?

The canonical SMILES for 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1cncnn1.Cc1ncccn1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.

What is the InChIKey of 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole?

The InChIKey is HWUURAMQHCVDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.4C5H6N2.C4H5N3.2C4H6N2.2C3H5N3/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-5-3-6-7-4;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/h2*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;2*2-4H,1H3;2*2-3H,1H3.

What are the key properties of 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole?

1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole has a molecular weight of 988.23 g/mol, XLogP of 6.57, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;6-methyl-1,2,4-triazine;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole is sourced from PubChem (CID 158610803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158610803 — identifiers, structure, computed properties (public domain)

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