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

C19H19FN4O — CID 72868180

IUPAC2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESFc1ccc(-n2nc(-c3ccccc3)nc2CC2CNCCO2)cc1
InChIInChI=1S/C19H19FN4O/c20-15-6-8-16(9-7-15)24-18(12-17-13-21-10-11-25-17)22-19(23-24)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2
InChIKeyHMESMIPUFIAJOK-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.60
Rot. Bonds4

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

2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72868180) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72868180
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESFc1ccc(-n2nc(-c3ccccc3)nc2CC2CNCCO2)cc1
InChIInChI=1S/C19H19FN4O/c20-15-6-8-16(9-7-15)24-18(12-17-13-21-10-11-25-17)22-19(23-24)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2
InChIKeyHMESMIPUFIAJOK-UHFFFAOYSA-N
XLogP2.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 72868180) is 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine is Fc1ccc(-n2nc(-c3ccccc3)nc2CC2CNCCO2)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is HMESMIPUFIAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-6-8-16(9-7-15)24-18(12-17-13-21-10-11-25-17)22-19(23-24)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 338.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72868180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).