1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

C15H20N4O2S — CID 71928771

IUPAC1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCCc1nc(C2CN(C(=O)CCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C15H20N4O2S/c1-2-13-16-15(18-17-13)12-10-19(7-8-21-12)14(20)6-5-11-4-3-9-22-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,16,17,18)
InChIKeyXKWADQPBYAYORG-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 71928771) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID71928771
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCCc1nc(C2CN(C(=O)CCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C15H20N4O2S/c1-2-13-16-15(18-17-13)12-10-19(7-8-21-12)14(20)6-5-11-4-3-9-22-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,16,17,18)
InChIKeyXKWADQPBYAYORG-UHFFFAOYSA-N
XLogP1.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (CID 71928771) is 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is CCc1nc(C2CN(C(=O)CCc3cccs3)CCO2)n[nH]1.
What is the InChIKey of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is XKWADQPBYAYORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-2-13-16-15(18-17-13)12-10-19(7-8-21-12)14(20)6-5-11-4-3-9-22-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,16,17,18).
What are the key properties of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 320.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 71928771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).