5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid

C11H17N3O3 — CID 102690270

IUPAC5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid
SMILESCC(C)Cn1cnnc1C1CCC(C(=O)O)O1
InChIInChI=1S/C11H17N3O3/c1-7(2)5-14-6-12-13-10(14)8-3-4-9(17-8)11(15)16/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyGOFMKZDPERGPLV-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.24
Rot. Bonds4

About 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid

5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid (PubChem CID 102690270) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid
PubChem CID102690270
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid
SMILESCC(C)Cn1cnnc1C1CCC(C(=O)O)O1
InChIInChI=1S/C11H17N3O3/c1-7(2)5-14-6-12-13-10(14)8-3-4-9(17-8)11(15)16/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyGOFMKZDPERGPLV-UHFFFAOYSA-N
XLogP1.24
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid (CID 102690270) is 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid is CC(C)Cn1cnnc1C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid?
The InChIKey is GOFMKZDPERGPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)5-14-6-12-13-10(14)8-3-4-9(17-8)11(15)16/h6-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid?
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102690270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).