4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine

C15H19FN4O — CID 50852612

IUPAC4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2cn(CCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H19FN4O/c16-14-4-2-13(3-5-14)15-12-20(18-17-15)7-1-6-19-8-10-21-11-9-19/h2-5,12H,1,6-11H2
InChIKeyNVBIMUKUVGFERJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.81
Rot. Bonds5

About 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine

4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine (PubChem CID 50852612) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine
PubChem CID50852612
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2cn(CCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H19FN4O/c16-14-4-2-13(3-5-14)15-12-20(18-17-15)7-1-6-19-8-10-21-11-9-19/h2-5,12H,1,6-11H2
InChIKeyNVBIMUKUVGFERJ-UHFFFAOYSA-N
XLogP1.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine (CID 50852612) is 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine is Fc1ccc(-c2cn(CCCN3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine?
The InChIKey is NVBIMUKUVGFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-14-4-2-13(3-5-14)15-12-20(18-17-15)7-1-6-19-8-10-21-11-9-19/h2-5,12H,1,6-11H2.
What are the key properties of 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine?
4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine has a molecular weight of 290.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]morpholine is sourced from PubChem (CID 50852612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).