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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole)

C60H103N27O4S4 — CID 158525813

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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole) (PubChem CID 158525813) has the molecular formula C60H103N27O4S4 and a molecular weight of 1394.94 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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 158525813
• Molecular Formula: C60H103N27O4S4
• Molecular Weight: 1394.94 g/mol
• Exact Mass: 1393.76
• 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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.CC.CC1=NC(C)N=N1.Cc1cn[nH]n1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/2C5H7NO.2C5H7NS.C4H7N3.2C4H6N2O.2C4H6N2S.4C3H5N3.4C2H6/c4*1-4-5(2)7-3-6-4;5*1-3-5-4(2)7-6-3;3*1-3-4-2-5-6-3;1-3-2-4-6-5-3;4*1-2/h5*3H,1-2H3;4*1-2H3;4*2H,1H3,(H,4,5,6);4*1-2H3
• InChIKey: HMTPGMLXPIZBDZ-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 410.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1394.94
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole) (CID 158525813) 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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC1=NC(C)N=N1.Cc1cn[nH]n1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.

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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole)?

The InChIKey is HMTPGMLXPIZBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.2C5H7NS.C4H7N3.2C4H6N2O.2C4H6N2S.4C3H5N3.4C2H6/c4*1-4-5(2)7-3-6-4;5*1-3-5-4(2)7-6-3;3*1-3-4-2-5-6-3;1-3-2-4-6-5-3;4*1-2/h5*3H,1-2H3;4*1-2H3;4*2H,1H3,(H,4,5,6);4*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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1394.94 g/mol, XLogP of 15.56, 0 rotatable bonds, 4 hydrogen bond donors, and 31 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);3,5-dimethyl-3H-1,2,4-triazole;ethane;4-methyl-2H-triazole;tris(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 158525813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).