3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole

C14H19N3OS — CID 138382681

IUPAC3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole
SMILESCCc1nc(CCc2ccsc2)n(C2CCOC2)n1
InChIInChI=1S/C14H19N3OS/c1-2-13-15-14(4-3-11-6-8-19-10-11)17(16-13)12-5-7-18-9-12/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyNHNNYIDPSYJHOM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.65
Rot. Bonds5

About 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole

3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole (PubChem CID 138382681) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole
PubChem CID138382681
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole
SMILESCCc1nc(CCc2ccsc2)n(C2CCOC2)n1
InChIInChI=1S/C14H19N3OS/c1-2-13-15-14(4-3-11-6-8-19-10-11)17(16-13)12-5-7-18-9-12/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyNHNNYIDPSYJHOM-UHFFFAOYSA-N
XLogP2.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole (CID 138382681) is 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole is CCc1nc(CCc2ccsc2)n(C2CCOC2)n1.
What is the InChIKey of 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole?
The InChIKey is NHNNYIDPSYJHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-13-15-14(4-3-11-6-8-19-10-11)17(16-13)12-5-7-18-9-12/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole?
3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole has a molecular weight of 277.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 138382681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).