1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene

C59H93N15S — CID 169425211

About 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene

1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene (PubChem CID 169425211) has the molecular formula C59H93N15S and a molecular weight of 1044.56 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene
• PubChem CID: 169425211
• Molecular Formula: C59H93N15S
• Molecular Weight: 1044.56 g/mol
• Exact Mass: 1043.75
• IUPAC Name: 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene
• SMILES: CC1CCN(C)C1.CN1CCN(C)CC1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1cn(C)nn1.Cc1cnn(C)c1.Cc1csc(C)n1.Cc1nnn(C)n1
• InChI: InChI=1S/2C8H10.2C7H9N.C6H14N2.C6H13N.C5H8N2.C5H7NS.C4H7N3.C3H6N4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-6-7(2)4-5;1-4-3-7-5(2)6-4;1-4-3-7(2)6-5-4;1-3-4-6-7(2)5-3/h2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3;2*3H,1-2H3;1-2H3
• InChIKey: FVDWDBHXPJKNAB-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 140.52 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.56
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene?

The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene (CID 169425211) is 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene.

What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene?

The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene is CC1CCN(C)C1.CN1CCN(C)CC1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1cn(C)nn1.Cc1cnn(C)c1.Cc1csc(C)n1.Cc1nnn(C)n1.

What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene?

The InChIKey is FVDWDBHXPJKNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.2C7H9N.C6H14N2.C6H13N.C5H8N2.C5H7NS.C4H7N3.C3H6N4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-6-7(2)4-5;1-4-3-7-5(2)6-4;1-4-3-7(2)6-5-4;1-3-4-6-7(2)5-3/h2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3;2*3H,1-2H3;1-2H3.

What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene?

1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene has a molecular weight of 1044.56 g/mol, XLogP of 10.96, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene;1,4-xylene is sourced from PubChem (CID 169425211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).