bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine

C105H161N34O9+ — CID 157480726

About bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine

bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine (PubChem CID 157480726) has the molecular formula C105H161N34O9+ and a molecular weight of 2043.67 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine.

Molecular Properties

• Compound Name: bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
• PubChem CID: 157480726
• Molecular Formula: C105H161N34O9+
• Molecular Weight: 2043.67 g/mol
• Exact Mass: 2042.32
• IUPAC Name: bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
• SMILES: Cc1cc(C)[nH]n1.Cc1cc(C)[nH]n1.Cc1ccc(C)o1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccoc1C.Cc1ccoc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnc(C)o1.Cc1cnn(C)c1.Cc1coc(C)c1.Cc1coc(C)c1.Cc1coc(C)n1.Cc1cocc1C.Cc1conc1C.Cc1nn(C)c[n+]1N.Cc1nncn1C.Cc1nnn(C)n1.Cc1nnn(C)n1
• InChI: InChI=1S/6C6H8O.8C5H8N2.3C5H7NO.C4H9N4.C4H7N3.2C3H6N4/c1-5-3-7-4-6(5)2;2*1-5-3-6(2)7-4-5;2*1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;3*1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7-6-5(4)2;1-4-6-7(2)3-8(4)5;1-4-6-5-3-7(4)2;2*1-3-4-6-7(2)5-3/h9*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);3*3H,1-2H3;3H,5H2,1-2H3;3H,1-2H3;2*1-2H3/q;;;;;;;;;;;;;;;;;+1
• InChIKey: GAIRCNHKVYXLHF-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 519.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.67
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine?

The IUPAC name of bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine (CID 157480726) is bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine.

What is the SMILES notation for bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine?

The canonical SMILES for bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine is Cc1cc(C)[nH]n1.Cc1cc(C)[nH]n1.Cc1ccc(C)o1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccoc1C.Cc1ccoc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnc(C)o1.Cc1cnn(C)c1.Cc1coc(C)c1.Cc1coc(C)c1.Cc1coc(C)n1.Cc1cocc1C.Cc1conc1C.Cc1nn(C)c[n+]1N.Cc1nncn1C.Cc1nnn(C)n1.Cc1nnn(C)n1.

What is the InChIKey of bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine?

The InChIKey is GAIRCNHKVYXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H8O.8C5H8N2.3C5H7NO.C4H9N4.C4H7N3.2C3H6N4/c1-5-3-7-4-6(5)2;2*1-5-3-6(2)7-4-5;2*1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;3*1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7-6-5(4)2;1-4-6-7(2)3-8(4)5;1-4-6-5-3-7(4)2;2*1-3-4-6-7(2)5-3/h9*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);3*3H,1-2H3;3H,5H2,1-2H3;3H,1-2H3;2*1-2H3/q;;;;;;;;;;;;;;;;;+1;;;.

What are the key properties of bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine?

bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine has a molecular weight of 2043.67 g/mol, XLogP of 20.46, 0 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine is sourced from PubChem (CID 157480726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).