4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine

C16H19F3N4O — CID 131907182

IUPAC4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCc1nc(CN2CCOCC2)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H19F3N4O/c1-2-14-20-15(11-22-7-9-24-10-8-22)23(21-14)13-5-3-12(4-6-13)16(17,18)19/h3-6H,2,7-11H2,1H3
InChIKeyYGXUKARCVYBATM-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.68
Rot. Bonds4

About 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine

4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 131907182) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID131907182
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCc1nc(CN2CCOCC2)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H19F3N4O/c1-2-14-20-15(11-22-7-9-24-10-8-22)23(21-14)13-5-3-12(4-6-13)16(17,18)19/h3-6H,2,7-11H2,1H3
InChIKeyYGXUKARCVYBATM-UHFFFAOYSA-N
XLogP2.68
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 131907182) is 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine is CCc1nc(CN2CCOCC2)n(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is YGXUKARCVYBATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-2-14-20-15(11-22-7-9-24-10-8-22)23(21-14)13-5-3-12(4-6-13)16(17,18)19/h3-6H,2,7-11H2,1H3.
What are the key properties of 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 340.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 131907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).