2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole

C54H87N24O4S6+ — CID 157246278

About 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole

2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole (PubChem CID 157246278) has the molecular formula C54H87N24O4S6+ and a molecular weight of 1328.86 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole
• PubChem CID: 157246278
• Molecular Formula: C54H87N24O4S6+
• Molecular Weight: 1328.86 g/mol
• Exact Mass: 1327.57
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole
• SMILES: CC.CC.Cc1cccc[n+]1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnsc1C.Cc1nnsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nonc1C.Cc1nsc(C)n1.Cc1nsc(C)n1.Cc1nsnc1C.Cn1cncn1
• InChI: InChI=1S/C7H10N.4C4H6N2O.6C4H6N2S.C3H5N3.2C2H6/c1-7-5-3-4-6-8(7)2;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-4(2)6-7-5-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;2*1-3-4(2)7-6-5-3;1-3-4(2)6-7-5-3;1-6-3-4-2-5-6;2*1-2/h3-6H,1-2H3;10*1-2H3;2-3H,1H3;2*1-2H3/q+1
• InChIKey: WYRMKDZPRASXOY-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 344.95 Ų
• H-Bond Acceptors: 33
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1328.86
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole (CID 157246278) is 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole is CC.CC.Cc1cccc[n+]1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnsc1C.Cc1nnsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nonc1C.Cc1nsc(C)n1.Cc1nsc(C)n1.Cc1nsnc1C.Cn1cncn1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole?

The InChIKey is WYRMKDZPRASXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.4C4H6N2O.6C4H6N2S.C3H5N3.2C2H6/c1-7-5-3-4-6-8(7)2;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-4(2)6-7-5-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;2*1-3-4(2)7-6-5-3;1-3-4(2)6-7-5-3;1-6-3-4-2-5-6;2*1-2/h3-6H,1-2H3;10*1-2H3;2-3H,1H3;2*1-2H3/q+1;;;;;;;;;;;;;.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole?

2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole has a molecular weight of 1328.86 g/mol, XLogP of 12.36, 0 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole is sourced from PubChem (CID 157246278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).