bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)

C47H84N30S — CID 157286403

About bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)

bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole) (PubChem CID 157286403) has the molecular formula C47H84N30S and a molecular weight of 1101.47 g/mol. Its IUPAC name is bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole).

Molecular Properties

• Compound Name: bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)
• PubChem CID: 157286403
• Molecular Formula: C47H84N30S
• Molecular Weight: 1101.47 g/mol
• Exact Mass: 1100.72
• IUPAC Name: bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)
• SMILES: Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C.Cc1nnc(C)n1C.Cc1nnn(C)c1C.Cc1nnnn1C.Cc1nnnn1C.Cc1nsnc1C
• InChI: InChI=1S/C7H12N2.6C5H9N3.C4H6N2S.2C3H6N4/c1-5-6(2)8-9(4)7(5)3;2*1-4-6-7-5(2)8(4)3;3*1-4-6-5(2)8(3)7-4;1-4-5(2)8(3)7-6-4;1-3-4(2)6-7-5-3;2*1-3-4-5-6-7(3)2/h1-4H3;6*1-3H3;3*1-2H3
• InChIKey: BAGZODBWJYBBCC-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 315.06 Ų
• H-Bond Acceptors: 31
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.47
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)?

The IUPAC name of bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole) (CID 157286403) is bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole).

What is the SMILES notation for bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)?

The canonical SMILES for bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole) is Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C.Cc1nnc(C)n1C.Cc1nnn(C)c1C.Cc1nnnn1C.Cc1nnnn1C.Cc1nsnc1C.

What is the InChIKey of bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)?

The InChIKey is BAGZODBWJYBBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.6C5H9N3.C4H6N2S.2C3H6N4/c1-5-6(2)8-9(4)7(5)3;2*1-4-6-7-5(2)8(4)3;3*1-4-6-5(2)8(3)7-4;1-4-5(2)8(3)7-6-4;1-3-4(2)6-7-5-3;2*1-3-4-5-6-7(3)2/h1-4H3;6*1-3H3;3*1-2H3.

What are the key properties of bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)?

bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole) has a molecular weight of 1101.47 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole) is sourced from PubChem (CID 157286403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).