1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole

C32H44N16S2 — CID 158428797

About 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole

1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole (PubChem CID 158428797) has the molecular formula C32H44N16S2 and a molecular weight of 716.95 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole.

Molecular Properties

• Compound Name: 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole
• PubChem CID: 158428797
• Molecular Formula: C32H44N16S2
• Molecular Weight: 716.95 g/mol
• Exact Mass: 716.34
• IUPAC Name: 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole
• SMILES: Cc1ccncn1.Cc1cncs1.Cc1ncccn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1nccn1
• InChI: InChI=1S/2C5H6N2.2C4H6N2.2C4H5NS.2C3H5N3/c1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-4-2-3-5-6/h2*2-4H,1H3;2*2-4H,1H3;4*2-3H,1H3
• InChIKey: HBJXUISXNPPJKI-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 174.40 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.95
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole?

The IUPAC name of 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole (CID 158428797) is 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole.

What is the SMILES notation for 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole?

The canonical SMILES for 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole is Cc1ccncn1.Cc1cncs1.Cc1ncccn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1nccn1.

What is the InChIKey of 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole?

The InChIKey is HBJXUISXNPPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6N2.2C4H6N2.2C4H5NS.2C3H5N3/c1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-4-2-3-5-6/h2*2-4H,1H3;2*2-4H,1H3;4*2-3H,1H3.

What are the key properties of 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole?

1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole has a molecular weight of 716.95 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;1-methylpyrazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole is sourced from PubChem (CID 158428797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).