2-phenyl-5-(triazolidin-4-yloxy)pyridine

C13H14N4O — CID 165414375

IUPAC2-phenyl-5-(triazolidin-4-yloxy)pyridine
SMILESc1ccc(-c2ccc(OC3CNNN3)cn2)cc1
InChIInChI=1S/C13H14N4O/c1-2-4-10(5-3-1)12-7-6-11(8-14-12)18-13-9-15-17-16-13/h1-8,13,15-17H,9H2
InChIKeyGLJMAVKSCREERT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.07
Rot. Bonds3

About 2-phenyl-5-(triazolidin-4-yloxy)pyridine

2-phenyl-5-(triazolidin-4-yloxy)pyridine (PubChem CID 165414375) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-phenyl-5-(triazolidin-4-yloxy)pyridine.

Molecular Properties

Compound Name2-phenyl-5-(triazolidin-4-yloxy)pyridine
PubChem CID165414375
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-phenyl-5-(triazolidin-4-yloxy)pyridine
SMILESc1ccc(-c2ccc(OC3CNNN3)cn2)cc1
InChIInChI=1S/C13H14N4O/c1-2-4-10(5-3-1)12-7-6-11(8-14-12)18-13-9-15-17-16-13/h1-8,13,15-17H,9H2
InChIKeyGLJMAVKSCREERT-UHFFFAOYSA-N
XLogP1.07
TPSA58.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine
CID 22872635
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-phenylamine
CID 44372111
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
US10155760, Example 144
CID 118419975
US10155760, Example 119
CID 118429771
US10155760, Example 65
CID 118429839
US10155760, Example 228
CID 118429881
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790621
3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790625
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(triazolidin-4-yloxy)pyridine?
The IUPAC name of 2-phenyl-5-(triazolidin-4-yloxy)pyridine (CID 165414375) is 2-phenyl-5-(triazolidin-4-yloxy)pyridine.
What is the SMILES notation for 2-phenyl-5-(triazolidin-4-yloxy)pyridine?
The canonical SMILES for 2-phenyl-5-(triazolidin-4-yloxy)pyridine is c1ccc(-c2ccc(OC3CNNN3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(triazolidin-4-yloxy)pyridine?
The InChIKey is GLJMAVKSCREERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-4-10(5-3-1)12-7-6-11(8-14-12)18-13-9-15-17-16-13/h1-8,13,15-17H,9H2.
What are the key properties of 2-phenyl-5-(triazolidin-4-yloxy)pyridine?
2-phenyl-5-(triazolidin-4-yloxy)pyridine has a molecular weight of 242.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(triazolidin-4-yloxy)pyridine is sourced from PubChem (CID 165414375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).