1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

C49H65N17OS2 — CID 160653083

About 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (PubChem CID 160653083) has the molecular formula C49H65N17OS2 and a molecular weight of 972.31 g/mol. Its IUPAC name is 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
• PubChem CID: 160653083
• Molecular Formula: C49H65N17OS2
• Molecular Weight: 972.31 g/mol
• Exact Mass: 971.50
• IUPAC Name: 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
• SMILES: Cc1ccc(C)nc1.Cc1cccnn1.Cc1cnc(C)cn1.Cc1cnc(C)s1.Cc1cnccn1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cn1cncn1
• InChI: InChI=1S/C7H9N.C6H8N2.C5H8N2.3C5H6N2.C5H7NS.C4H5NO.C4H5NS.C3H5N3/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-6-3-4-7(5)2;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-3-6-5(2)7-4;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6/h3-5H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;3*2-4H,1H3;3H,1-2H3;3*2-3H,1H3
• InChIKey: RKRGCTBVUJPYRB-UHFFFAOYSA-N
• XLogP: 9.89
• TPSA: 216.35 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	972.31
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The IUPAC name of 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (CID 160653083) is 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.

What is the SMILES notation for 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The canonical SMILES for 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is Cc1ccc(C)nc1.Cc1cccnn1.Cc1cnc(C)cn1.Cc1cnc(C)s1.Cc1cnccn1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cn1cncn1.

What is the InChIKey of 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The InChIKey is RKRGCTBVUJPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H8N2.C5H8N2.3C5H6N2.C5H7NS.C4H5NO.C4H5NS.C3H5N3/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-6-3-4-7(5)2;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-3-6-5(2)7-4;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6/h3-5H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;3*2-4H,1H3;3H,1-2H3;3*2-3H,1H3.

What are the key properties of 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole has a molecular weight of 972.31 g/mol, XLogP of 9.89, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 160653083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).