3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine

C15H20FN5O — CID 44556204

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine
SMILESFCCCCc1cn(-c2cncc(OC[C@@H]3CCN3)c2)nn1
InChIInChI=1S/C15H20FN5O/c16-5-2-1-3-12-10-21(20-19-12)14-7-15(9-17-8-14)22-11-13-4-6-18-13/h7-10,13,18H,1-6,11H2/t13-/m0/s1
InChIKeyASEAMSJMUNHGQD-ZDUSSCGKSA-N
MW305.36 g/mol
LogP1.70
Rot. Bonds8

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine (PubChem CID 44556204) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine
PubChem CID44556204
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine
SMILESFCCCCc1cn(-c2cncc(OC[C@@H]3CCN3)c2)nn1
InChIInChI=1S/C15H20FN5O/c16-5-2-1-3-12-10-21(20-19-12)14-7-15(9-17-8-14)22-11-13-4-6-18-13/h7-10,13,18H,1-6,11H2/t13-/m0/s1
InChIKeyASEAMSJMUNHGQD-ZDUSSCGKSA-N
XLogP1.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine 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 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine (CID 44556204) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine is FCCCCc1cn(-c2cncc(OC[C@@H]3CCN3)c2)nn1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine?
The InChIKey is ASEAMSJMUNHGQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FN5O/c16-5-2-1-3-12-10-21(20-19-12)14-7-15(9-17-8-14)22-11-13-4-6-18-13/h7-10,13,18H,1-6,11H2/t13-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine has a molecular weight of 305.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(4-fluorobutyl)triazol-1-yl]pyridine is sourced from PubChem (CID 44556204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).