(3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane

C17H21FN4O — CID 127042193

IUPAC(3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESFCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1
InChIInChI=1S/C17H21FN4O/c18-7-10-23-15-3-1-13(2-4-15)16-11-22(20-19-16)17-12-21-8-5-14(17)6-9-21/h1-4,11,14,17H,5-10,12H2/t17-/m0/s1
InChIKeyGWUDLKZTESFCKI-KRWDZBQOSA-N
MW316.38 g/mol
LogP2.56
Rot. Bonds5

About (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane

(3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane (PubChem CID 127042193) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
PubChem CID127042193
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESFCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1
InChIInChI=1S/C17H21FN4O/c18-7-10-23-15-3-1-13(2-4-15)16-11-22(20-19-16)17-12-21-8-5-14(17)6-9-21/h1-4,11,14,17H,5-10,12H2/t17-/m0/s1
InChIKeyGWUDLKZTESFCKI-KRWDZBQOSA-N
XLogP2.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane 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 (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane (CID 127042193) is (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane is FCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1.
What is the InChIKey of (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The InChIKey is GWUDLKZTESFCKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-7-10-23-15-3-1-13(2-4-15)16-11-22(20-19-16)17-12-21-8-5-14(17)6-9-21/h1-4,11,14,17H,5-10,12H2/t17-/m0/s1.
What are the key properties of (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane?
(3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane has a molecular weight of 316.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 127042193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).