2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole

C₅₂H₇₈N₂₂O₂ — CID 158220506

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole (PubChem CID 158220506) has the molecular formula C₅₂H₇₈N₂₂O₂ and a molecular weight of 1043.35 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole
• PubChem CID: 158220506
• Molecular Formula: C₅₂H₇₈N₂₂O₂
• Molecular Weight: 1043.35 g/mol
• Exact Mass: 1042.67
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole
• SMILES: Cc1cc(C)n(C)n1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnn(C)c1C.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1nnn(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/C7H9N.2C6H10N2.3C6H8N2.C4H7N3.2C4H6N2O.C3H6N4/c1-6-3-4-7(2)8-5-6;1-5-4-7-8(3)6(5)2;1-5-4-6(2)8(3)7-5;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-4-5-3-7(2)6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-4-6-7(2)5-3/h3-5H,1-2H3;2*4H,1-3H3;3*3-4H,1-2H3;3H,1-2H3;3*1-2H3
• InChIKey: GDEKBPDOLFRAJX-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 278.02 Ų
• H-Bond Acceptors: 24
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.35
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole (CID 158220506) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole is Cc1cc(C)n(C)n1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnn(C)c1C.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1nnn(C)n1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole?

The InChIKey is GDEKBPDOLFRAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C6H10N2.3C6H8N2.C4H7N3.2C4H6N2O.C3H6N4/c1-6-3-4-7(2)8-5-6;1-5-4-7-8(3)6(5)2;1-5-4-6(2)8(3)7-5;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-4-5-3-7(2)6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-4-6-7(2)5-3/h3-5H,1-2H3;2*4H,1-3H3;3*3-4H,1-2H3;3H,1-2H3;3*1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole has a molecular weight of 1043.35 g/mol, XLogP of 8.07, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole is sourced from PubChem (CID 158220506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158220506 — identifiers, structure, computed properties (public domain)

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