2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine

C85H117F2N27S2 — CID 159100983

About 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine

2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine (PubChem CID 159100983) has the molecular formula C85H117F2N27S2 and a molecular weight of 1619.19 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine.

Molecular Properties

• Compound Name: 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine
• PubChem CID: 159100983
• Molecular Formula: C85H117F2N27S2
• Molecular Weight: 1619.19 g/mol
• Exact Mass: 1617.94
• IUPAC Name: 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine
• SMILES: Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)n1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cn(C)nn1.Cc1cnc(C)[nH]1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1ncn(C)n1.Cc1nnc(C)s1
• InChI: InChI=1S/C8H9F.C7H8FN.2C7H9N.5C6H8N2.C5H8N2.C5H7NS.3C4H7N3.C4H6N2S/c1-6-3-4-7(2)8(9)5-6;1-5-3-4-6(2)9-7(5)8;2*1-6-3-4-7(2)8-5-6;2*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)7-4;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h3-5H,1-2H3;3-4H,1-2H3;2*3-5H,1-2H3;5*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3;1-2H3,(H,5,6,7);1-2H3
• InChIKey: KDGWEQUITVDCSM-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 337.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1619.19
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine?

The IUPAC name of 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine (CID 159100983) is 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine.

What is the SMILES notation for 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine?

The canonical SMILES for 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine is Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)n1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cn(C)nn1.Cc1cnc(C)[nH]1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1ncn(C)n1.Cc1nnc(C)s1.

What is the InChIKey of 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine?

The InChIKey is KDGWEQUITVDCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C7H8FN.2C7H9N.5C6H8N2.C5H8N2.C5H7NS.3C4H7N3.C4H6N2S/c1-6-3-4-7(2)8(9)5-6;1-5-3-4-6(2)9-7(5)8;2*1-6-3-4-7(2)8-5-6;2*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)7-4;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h3-5H,1-2H3;3-4H,1-2H3;2*3-5H,1-2H3;5*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3;1-2H3,(H,5,6,7);1-2H3.

What are the key properties of 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine?

2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine has a molecular weight of 1619.19 g/mol, XLogP of 17.75, 0 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine is sourced from PubChem (CID 159100983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).