2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole)

C61H121N29O2S — CID 158040629

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole)

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) (PubChem CID 158040629) has the molecular formula C61H121N29O2S and a molecular weight of 1324.91 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 158040629
• Molecular Formula: C61H121N29O2S
• Molecular Weight: 1324.91 g/mol
• Exact Mass: 1324.00
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cn1cccn1.Cn1cncn1.Cn1cnnc1
• InChI: InChI=1S/2C4H6N2O.C4H6N2S.4C4H6N2.5C3H5N3.9C2H6/c1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-4-2-5-6-3-4;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;3*1-3-4-2-5-6-3;9*1-2/h3*1-2H3;2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3;3*2H,1H3,(H,4,5,6);9*1-2H3
• InChIKey: FIHRWKNNMPZKCI-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 393.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1324.91
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) (CID 158040629) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole).

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

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cn1cccn1.Cn1cncn1.Cn1cnnc1.

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

The InChIKey is FIHRWKNNMPZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2O.C4H6N2S.4C4H6N2.5C3H5N3.9C2H6/c1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-4-2-5-6-3-4;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;3*1-3-4-2-5-6-3;9*1-2/h3*1-2H3;2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3;3*2H,1H3,(H,4,5,6);9*1-2H3.

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

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1324.91 g/mol, XLogP of 14.31, 0 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 158040629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).