2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)

C61H99N25O4S3 — CID 157083115

About 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)

2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole) (PubChem CID 157083115) has the molecular formula C61H99N25O4S3 and a molecular weight of 1342.83 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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole).

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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)
• PubChem CID: 157083115
• Molecular Formula: C61H99N25O4S3
• Molecular Weight: 1342.83 g/mol
• Exact Mass: 1341.75
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)
• SMILES: Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)n(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnn(C)c1C.Cc1nnn(C)c1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nonc1C.Cc1nsc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/2C9H15N.3C5H9N3.4C4H6N2O.3C4H6N2S/c2*1-6-7(2)9(4)10(5)8(6)3;1-4-6-5(2)8(3)7-4;2*1-4-5(2)8(3)7-6-4;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/h2*1-5H3;3*1-3H3;7*1-2H3
• InChIKey: ADTXREMWNQFZRA-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 335.01 Ų
• H-Bond Acceptors: 32
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.83
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)?

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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole) (CID 157083115) is 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole).

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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)?

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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole) is Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)n(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnn(C)c1C.Cc1nnn(C)c1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nonc1C.Cc1nsc(C)n1.Cc1nsc(C)n1.

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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)?

The InChIKey is ADTXREMWNQFZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15N.3C5H9N3.4C4H6N2O.3C4H6N2S/c2*1-6-7(2)9(4)10(5)8(6)3;1-4-6-5(2)8(3)7-4;2*1-4-5(2)8(3)7-6-4;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/h2*1-5H3;3*1-3H3;7*1-2H3.

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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole)?

2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole) has a molecular weight of 1342.83 g/mol, XLogP of 12.02, 0 rotatable bonds, 0 hydrogen bond donors, and 32 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);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(1,2,3,4,5-pentamethylpyrrole);1,3,5-trimethyl-1,2,4-triazole;bis(1,4,5-trimethyltriazole) is sourced from PubChem (CID 157083115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).