2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)

C57H77N21S — CID 159936836

About 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)

2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine) (PubChem CID 159936836) has the molecular formula C57H77N21S and a molecular weight of 1088.46 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine).

Molecular Properties

• Compound Name: 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)
• PubChem CID: 159936836
• Molecular Formula: C57H77N21S
• Molecular Weight: 1088.46 g/mol
• Exact Mass: 1087.64
• IUPAC Name: 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)
• SMILES: Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)nn1.Cc1cnc(C)nn1.Cc1cnc(C)s1.Cc1nnc(C)nn1
• InChI: InChI=1S/2C7H9N.4C6H8N2.2C5H7N3.C5H7NS.C4H6N4/c2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;2*1-4-3-6-5(2)8-7-4;1-4-3-6-5(2)7-4;1-3-5-7-4(2)8-6-3/h2*3-5H,1-2H3;4*3-4H,1-2H3;2*3H,1-2H3;3H,1-2H3;1-2H3
• InChIKey: OAIXOMWLYBOXFP-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 270.69 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1088.46
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)?

The IUPAC name of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine) (CID 159936836) is 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine).

What is the SMILES notation for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)?

The canonical SMILES for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine) is Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)nn1.Cc1cnc(C)nn1.Cc1cnc(C)s1.Cc1nnc(C)nn1.

What is the InChIKey of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)?

The InChIKey is OAIXOMWLYBOXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.4C6H8N2.2C5H7N3.C5H7NS.C4H6N4/c2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;2*1-4-3-6-5(2)8-7-4;1-4-3-6-5(2)7-4;1-3-5-7-4(2)8-6-3/h2*3-5H,1-2H3;4*3-4H,1-2H3;2*3H,1-2H3;3H,1-2H3;1-2H3.

What are the key properties of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine)?

2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine) has a molecular weight of 1088.46 g/mol, XLogP of 10.39, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3-thiazole;bis(3,6-dimethyl-1,2,4-triazine) is sourced from PubChem (CID 159936836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).