2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine

C64H88F3N17OS — CID 158001969

About 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine

2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 158001969) has the molecular formula C64H88F3N17OS and a molecular weight of 1200.59 g/mol. Its IUPAC name is 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine
• PubChem CID: 158001969
• Molecular Formula: C64H88F3N17OS
• Molecular Weight: 1200.59 g/mol
• Exact Mass: 1199.70
• IUPAC Name: 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine
• SMILES: Cc1cc(C)c(C)nn1.Cc1ccc(C)n1C(F)(F)F.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccnnc1C.Cc1cnnc(C)c1C.Cc1cnncc1C.Cc1nc(C)nc(C)n1.Cc1ncnc(C)n1.Cc1nnc(C)c(C)c1C
• InChI: InChI=1S/C8H12N2.C7H8F3N.2C7H10N2.C6H9N3.2C6H8N2.C6H8O.C6H8S.C5H7N3/c1-5-6(2)8(4)10-9-7(5)3;1-5-3-4-6(2)11(5)7(8,9)10;1-5-4-8-9-7(3)6(5)2;1-5-4-6(2)8-9-7(5)3;1-4-7-5(2)9-6(3)8-4;1-5-3-7-8-4-6(5)2;1-5-3-4-7-8-6(5)2;2*1-5-3-4-6(2)7-5;1-4-6-3-7-5(2)8-4/h1-4H3;3-4H,1-2H3;2*4H,1-3H3;1-3H3;2*3-4H,1-2H3;2*3-4H,1-2H3;3H,1-2H3
• InChIKey: FDVNDLHRQBVIHU-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 224.31 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1200.59
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine?

The IUPAC name of 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine (CID 158001969) is 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine.

What is the SMILES notation for 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine?

The canonical SMILES for 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine is Cc1cc(C)c(C)nn1.Cc1ccc(C)n1C(F)(F)F.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccnnc1C.Cc1cnnc(C)c1C.Cc1cnncc1C.Cc1nc(C)nc(C)n1.Cc1ncnc(C)n1.Cc1nnc(C)c(C)c1C.

What is the InChIKey of 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine?

The InChIKey is FDVNDLHRQBVIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H8F3N.2C7H10N2.C6H9N3.2C6H8N2.C6H8O.C6H8S.C5H7N3/c1-5-6(2)8(4)10-9-7(5)3;1-5-3-4-6(2)11(5)7(8,9)10;1-5-4-8-9-7(3)6(5)2;1-5-4-6(2)8-9-7(5)3;1-4-7-5(2)9-6(3)8-4;1-5-3-7-8-4-6(5)2;1-5-3-4-7-8-6(5)2;2*1-5-3-4-6(2)7-5;1-4-6-3-7-5(2)8-4/h1-4H3;3-4H,1-2H3;2*4H,1-3H3;1-3H3;2*3-4H,1-2H3;2*3-4H,1-2H3;3H,1-2H3.

What are the key properties of 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine?

2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1200.59 g/mol, XLogP of 14.83, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 158001969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).