2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine

C14H20N4OS — CID 71928110

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
SMILESCCc1nc(C2CN(CCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C14H20N4OS/c1-2-13-15-14(17-16-13)12-10-18(7-8-19-12)6-5-11-4-3-9-20-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,15,16,17)
InChIKeyFCIDAYNGWCNKNF-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.04
Rot. Bonds5

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine (PubChem CID 71928110) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
PubChem CID71928110
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
SMILESCCc1nc(C2CN(CCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C14H20N4OS/c1-2-13-15-14(17-16-13)12-10-18(7-8-19-12)6-5-11-4-3-9-20-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,15,16,17)
InChIKeyFCIDAYNGWCNKNF-UHFFFAOYSA-N
XLogP2.04
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine (CID 71928110) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine is CCc1nc(C2CN(CCc3cccs3)CCO2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The InChIKey is FCIDAYNGWCNKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-13-15-14(17-16-13)12-10-18(7-8-19-12)6-5-11-4-3-9-20-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,15,16,17).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine has a molecular weight of 292.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine is sourced from PubChem (CID 71928110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).