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

C13H16N4O2S — CID 71928792

IUPAC[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCCc1nc(C2CN(C(=O)c3ccsc3)CCO2)n[nH]1
InChIInChI=1S/C13H16N4O2S/c1-2-11-14-12(16-15-11)10-7-17(4-5-19-10)13(18)9-3-6-20-8-9/h3,6,8,10H,2,4-5,7H2,1H3,(H,14,15,16)
InChIKeyMEYRVDWCTJFCKY-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.64
Rot. Bonds3

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

[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone (PubChem CID 71928792) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone
PubChem CID71928792
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCCc1nc(C2CN(C(=O)c3ccsc3)CCO2)n[nH]1
InChIInChI=1S/C13H16N4O2S/c1-2-11-14-12(16-15-11)10-7-17(4-5-19-10)13(18)9-3-6-20-8-9/h3,6,8,10H,2,4-5,7H2,1H3,(H,14,15,16)
InChIKeyMEYRVDWCTJFCKY-UHFFFAOYSA-N
XLogP1.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.64
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)morpholin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone (CID 71928792) is [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone is CCc1nc(C2CN(C(=O)c3ccsc3)CCO2)n[nH]1.
What is the InChIKey of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is MEYRVDWCTJFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-11-14-12(16-15-11)10-7-17(4-5-19-10)13(18)9-3-6-20-8-9/h3,6,8,10H,2,4-5,7H2,1H3,(H,14,15,16).
What are the key properties of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone?
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 292.36 g/mol, XLogP of 1.64, 3 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)morpholin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 71928792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).