2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine

C16H21FN4O — CID 71928126

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine
SMILESCCc1nc(C2CN(C(C)c3ccccc3F)CCO2)n[nH]1
InChIInChI=1S/C16H21FN4O/c1-3-15-18-16(20-19-15)14-10-21(8-9-22-14)11(2)12-6-4-5-7-13(12)17/h4-7,11,14H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCRAGUMZLVORVDV-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.64
Rot. Bonds4

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine (PubChem CID 71928126) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine
PubChem CID71928126
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine
SMILESCCc1nc(C2CN(C(C)c3ccccc3F)CCO2)n[nH]1
InChIInChI=1S/C16H21FN4O/c1-3-15-18-16(20-19-15)14-10-21(8-9-22-14)11(2)12-6-4-5-7-13(12)17/h4-7,11,14H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCRAGUMZLVORVDV-UHFFFAOYSA-N
XLogP2.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine (CID 71928126) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine is CCc1nc(C2CN(C(C)c3ccccc3F)CCO2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine?
The InChIKey is CRAGUMZLVORVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-3-15-18-16(20-19-15)14-10-21(8-9-22-14)11(2)12-6-4-5-7-13(12)17/h4-7,11,14H,3,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine has a molecular weight of 304.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine is sourced from PubChem (CID 71928126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).