bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole

C51H85N21O4S4 — CID 158245580

About bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole

bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole (PubChem CID 158245580) has the molecular formula C51H85N21O4S4 and a molecular weight of 1184.65 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 158245580
• Molecular Formula: C51H85N21O4S4
• Molecular Weight: 1184.65 g/mol
• Exact Mass: 1183.60
• IUPAC Name: bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
• SMILES: CC.CC.CC.Cc1ncn[nH]1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1cncn1.Cn1nccn1
• InChI: InChI=1S/2C5H7NO.2C5H7NS.2C4H6N2O.2C4H6N2S.3C3H5N3.3C2H6/c4*1-4-5(2)7-3-6-4;4*1-3-5-4(2)7-6-3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;3*1-2/h4*3H,1-2H3;4*1-2H3;2*2-3H,1H3;2H,1H3,(H,4,5,6);3*1-2H3
• InChIKey: GGBQEEGJSIQPQE-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 310.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.65
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?

The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole (CID 158245580) is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole is CC.CC.CC.Cc1ncn[nH]1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1cncn1.Cn1nccn1.

What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?

The InChIKey is GGBQEEGJSIQPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.2C5H7NS.2C4H6N2O.2C4H6N2S.3C3H5N3.3C2H6/c4*1-4-5(2)7-3-6-4;4*1-3-5-4(2)7-6-3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;3*1-2/h4*3H,1-2H3;4*1-2H3;2*2-3H,1H3;2H,1H3,(H,4,5,6);3*1-2H3.

What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?

bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1184.65 g/mol, XLogP of 12.61, 0 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158245580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).