2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

C₁₂H₂₁N₃O₂ — CID 115812625

About 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 115812625) has the molecular formula C₁₂H₂₁N₃O₂ and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

• Compound Name: 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
• PubChem CID: 115812625
• Molecular Formula: C₁₂H₂₁N₃O₂
• Molecular Weight: 239.32 g/mol
• Exact Mass: 239.16
• IUPAC Name: 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
• SMILES: CC1OC(C)C(C(O)Cc2ncnn2C)C1C
• InChI: InChI=1S/C12H21N3O2/c1-7-8(2)17-9(3)12(7)10(16)5-11-13-6-14-15(11)4/h6-10,12,16H,5H2,1-4H3
• InChIKey: QAUFHMSGCPKMMF-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.32
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 115812625) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2ncnn2C)C1C.

What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

The InChIKey is QAUFHMSGCPKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7-8(2)17-9(3)12(7)10(16)5-11-13-6-14-15(11)4/h6-10,12,16H,5H2,1-4H3.

What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 239.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115812625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115812625 — identifiers, structure, computed properties (public domain)

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