1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole

C63H116N24O2S2 — CID 159680074

About 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole

1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole (PubChem CID 159680074) has the molecular formula C63H116N24O2S2 and a molecular weight of 1305.92 g/mol. Its IUPAC name is 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole
• PubChem CID: 159680074
• Molecular Formula: C63H116N24O2S2
• Molecular Weight: 1305.92 g/mol
• Exact Mass: 1304.92
• IUPAC Name: 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnnn1C.c1ccncc1
• InChI: InChI=1S/3C5H9N3.C5H8N2.C5H6N2.C5H5N.C4H6N2O.C4H6N2S.C4H5NO.C4H5NS.C3H6N4.7C2H6/c1-4-6-7-5(2)8(4)3;2*1-4-6-5(2)8(3)7-4;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;2*1-3-5-6-4(2)7-3;2*1-4-5-2-3-6-4;1-3-4-5-6-7(3)2;7*1-2/h3*1-3H3;3-4H,1-2H3;2-4H,1H3;1-5H;2*1-2H3;2*2-3H,1H3;1-2H3;7*1-2H3
• InChIKey: MVCDPXALYZWQQE-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 295.84 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.92
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?

The IUPAC name of 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole (CID 159680074) is 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole.

What is the SMILES notation for 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?

The canonical SMILES for 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnnn1C.c1ccncc1.

What is the InChIKey of 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?

The InChIKey is MVCDPXALYZWQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H9N3.C5H8N2.C5H6N2.C5H5N.C4H6N2O.C4H6N2S.C4H5NO.C4H5NS.C3H6N4.7C2H6/c1-4-6-7-5(2)8(4)3;2*1-4-6-5(2)8(3)7-4;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;2*1-3-5-6-4(2)7-3;2*1-4-5-2-3-6-4;1-3-4-5-6-7(3)2;7*1-2/h3*1-3H3;3-4H,1-2H3;2-4H,1H3;1-5H;2*1-2H3;2*2-3H,1H3;1-2H3;7*1-2H3.

What are the key properties of 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?

1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1305.92 g/mol, XLogP of 14.87, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 159680074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).