4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine

C18H18FN5O2 — CID 10237040

IUPAC4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine
SMILESFc1cc(-n2cc(COc3ccccn3)nn2)ccc1N1CCOCC1
InChIInChI=1S/C18H18FN5O2/c19-16-11-15(4-5-17(16)23-7-9-25-10-8-23)24-12-14(21-22-24)13-26-18-3-1-2-6-20-18/h1-6,11-12H,7-10,13H2
InChIKeySAEHJEUNIJKIHU-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.22
Rot. Bonds5

About 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine

4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine (PubChem CID 10237040) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine
PubChem CID10237040
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine
SMILESFc1cc(-n2cc(COc3ccccn3)nn2)ccc1N1CCOCC1
InChIInChI=1S/C18H18FN5O2/c19-16-11-15(4-5-17(16)23-7-9-25-10-8-23)24-12-14(21-22-24)13-26-18-3-1-2-6-20-18/h1-6,11-12H,7-10,13H2
InChIKeySAEHJEUNIJKIHU-UHFFFAOYSA-N
XLogP2.22
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]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-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine?
The IUPAC name of 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine (CID 10237040) is 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine is Fc1cc(-n2cc(COc3ccccn3)nn2)ccc1N1CCOCC1.
What is the InChIKey of 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine?
The InChIKey is SAEHJEUNIJKIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-16-11-15(4-5-17(16)23-7-9-25-10-8-23)24-12-14(21-22-24)13-26-18-3-1-2-6-20-18/h1-6,11-12H,7-10,13H2.
What are the key properties of 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine?
4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine has a molecular weight of 355.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[4-(pyridin-2-yloxymethyl)triazol-1-yl]phenyl]morpholine is sourced from PubChem (CID 10237040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).