5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole

C11H13N3OS — CID 81329967

IUPAC5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESCC1CCC(c2nc(-c3cccs3)n[nH]2)O1
InChIInChI=1S/C11H13N3OS/c1-7-4-5-8(15-7)10-12-11(14-13-10)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H,12,13,14)
InChIKeyPZWYOPCQIJSTHI-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.77
Rot. Bonds2

About 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole

5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 81329967) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID81329967
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESCC1CCC(c2nc(-c3cccs3)n[nH]2)O1
InChIInChI=1S/C11H13N3OS/c1-7-4-5-8(15-7)10-12-11(14-13-10)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H,12,13,14)
InChIKeyPZWYOPCQIJSTHI-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole (CID 81329967) is 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole is CC1CCC(c2nc(-c3cccs3)n[nH]2)O1.
What is the InChIKey of 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is PZWYOPCQIJSTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-4-5-8(15-7)10-12-11(14-13-10)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H,12,13,14).
What are the key properties of 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 235.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyloxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 81329967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).