tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole

C80H116N36O8S5 — CID 159168870

About tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole

tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole (PubChem CID 159168870) has the molecular formula C80H116N36O8S5 and a molecular weight of 1870.39 g/mol. Its IUPAC name is tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole.

Molecular Properties

• Compound Name: tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole
• PubChem CID: 159168870
• Molecular Formula: C80H116N36O8S5
• Molecular Weight: 1870.39 g/mol
• Exact Mass: 1868.84
• IUPAC Name: tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole
• SMILES: C=C1N=C(C)NO1.C=C1N=C(C)NS1.C=C1NN=C(C)O1.C=C1NN=C(C)O1.C=C1NN=C(C)S1.CC1=CCC=N1.CC1=NC=CC1.CC1=NCC=N1.CC1=NCN=C1.CC1=NCN=N1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1ncco1.Cc1nccs1.Cc1noc(=O)[nH]1
• InChI: InChI=1S/2C5H7N.3C4H7N3.3C4H6N2O.2C4H6N2S.2C4H6N2.3C4H5NO.3C4H5NS.C3H5N3.C3H4N2O2/c2*1-5-3-2-4-6-5;3*1-3-5-4(2)7-6-3;2*1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-2-4-3(6)7-5-2/h3-4H,2H2,1H3;2,4H,3H2,1H3;3*1-2H3,(H,5,6,7);2*5H,1H2,2H3;2H2,1H3,(H,5,6);5H,1H2,2H3;2H2,1H3,(H,5,6);2*2H,3H2,1H3;6*2-3H,1H3;2H2,1H3;1H3,(H,4,5,6)
• InChIKey: KLKUWKUAMZNVHU-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 561.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.39
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole?

The IUPAC name of tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole (CID 159168870) is tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole.

What is the SMILES notation for tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole?

The canonical SMILES for tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole is C=C1N=C(C)NO1.C=C1N=C(C)NS1.C=C1NN=C(C)O1.C=C1NN=C(C)O1.C=C1NN=C(C)S1.CC1=CCC=N1.CC1=NC=CC1.CC1=NCC=N1.CC1=NCN=C1.CC1=NCN=N1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1ncco1.Cc1nccs1.Cc1noc(=O)[nH]1.

What is the InChIKey of tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole?

The InChIKey is KLKUWKUAMZNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.3C4H7N3.3C4H6N2O.2C4H6N2S.2C4H6N2.3C4H5NO.3C4H5NS.C3H5N3.C3H4N2O2/c2*1-5-3-2-4-6-5;3*1-3-5-4(2)7-6-3;2*1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-2-4-3(6)7-5-2/h3-4H,2H2,1H3;2,4H,3H2,1H3;3*1-2H3,(H,5,6,7);2*5H,1H2,2H3;2H2,1H3,(H,5,6);5H,1H2,2H3;2H2,1H3,(H,5,6);2*2H,3H2,1H3;6*2-3H,1H3;2H2,1H3;1H3,(H,4,5,6).

What are the key properties of tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole?

tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole has a molecular weight of 1870.39 g/mol, XLogP of 16.26, 0 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-4H-imidazole;4-methyl-2H-imidazole;3-methyl-5-methylidene-2H-1,2,4-oxadiazole;bis(5-methyl-2-methylidene-3H-1,3,4-oxadiazole);3-methyl-5-methylidene-2H-1,2,4-thiadiazole;5-methyl-2-methylidene-3H-1,3,4-thiadiazole;3-methyl-4H-1,2,4-oxadiazol-5-one;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-3H-1,2,4-triazole is sourced from PubChem (CID 159168870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).