Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)

C₇₆H₁₃₄N₂₄O₂S₂ — CID 157401578

About Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)

Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (PubChem CID 157401578) has the molecular formula C₇₆H₁₃₄N₂₄O₂S₂ and a molecular weight of 1480.21 g/mol. Its IUPAC name is bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole).

Molecular Properties

• Compound Name: Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
• PubChem CID: 157401578
• Molecular Formula: C₇₆H₁₃₄N₂₄O₂S₂
• Molecular Weight: 1480.21 g/mol
• Exact Mass: 1479.06
• IUPAC Name: bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cn1ccnn1.Cn1nccn1
• InChI: InChI=1S/3C6H7N.C5H6N2.2C5H7NO.2C5H7NS.5C3H5N3.9C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;4*1-4-5(2)7-3-6-4;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;9*1-2/h3*2-5H,1H3;2-4H,1H3;4*3H,1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);9*1-2H3
• InChIKey: BNFPARXZGCUGAY-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 328.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.21
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (CID 157401578) is bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole).

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

The canonical SMILES for Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cn1ccnn1.Cn1nccn1.

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

The InChIKey is BNFPARXZGCUGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C5H6N2.2C5H7NO.2C5H7NS.5C3H5N3.9C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;4*1-4-5(2)7-3-6-4;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;9*1-2/h3*2-5H,1H3;2-4H,1H3;4*3H,1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);9*1-2H3.

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

Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) has a molecular weight of 1480.21 g/mol, XLogP of 20.26, 0 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is sourced from PubChem (CID 157401578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157401578 — identifiers, structure, computed properties (public domain)

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