3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine

C13H15FN4O2 — CID 139019689

IUPAC3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine
SMILESFc1cncc(-c2cn(CCOC3CCOC3)nn2)c1
InChIInChI=1S/C13H15FN4O2/c14-11-5-10(6-15-7-11)13-8-18(17-16-13)2-4-20-12-1-3-19-9-12/h5-8,12H,1-4,9H2
InChIKeyXCEQXVZZGKVGEL-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.28
Rot. Bonds5

About 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine

3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine (PubChem CID 139019689) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine
PubChem CID139019689
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine
SMILESFc1cncc(-c2cn(CCOC3CCOC3)nn2)c1
InChIInChI=1S/C13H15FN4O2/c14-11-5-10(6-15-7-11)13-8-18(17-16-13)2-4-20-12-1-3-19-9-12/h5-8,12H,1-4,9H2
InChIKeyXCEQXVZZGKVGEL-UHFFFAOYSA-N
XLogP1.28
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine?
The IUPAC name of 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine (CID 139019689) is 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine.
What is the SMILES notation for 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine?
The canonical SMILES for 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine is Fc1cncc(-c2cn(CCOC3CCOC3)nn2)c1.
What is the InChIKey of 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine?
The InChIKey is XCEQXVZZGKVGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c14-11-5-10(6-15-7-11)13-8-18(17-16-13)2-4-20-12-1-3-19-9-12/h5-8,12H,1-4,9H2.
What are the key properties of 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine?
3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine has a molecular weight of 278.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine is sourced from PubChem (CID 139019689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).