2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

C11H10FN7O — CID 79719316

IUPAC2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESNCCn1cc(-c2nc(-c3ccc(F)cn3)no2)nn1
InChIInChI=1S/C11H10FN7O/c12-7-1-2-8(14-5-7)10-15-11(20-17-10)9-6-19(4-3-13)18-16-9/h1-2,5-6H,3-4,13H2
InChIKeyZVWDSBBNXVGTMQ-UHFFFAOYSA-N
MW275.25 g/mol
LogP0.49
Rot. Bonds4

About 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (PubChem CID 79719316) has the molecular formula C11H10FN7O and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
PubChem CID79719316
Molecular FormulaC11H10FN7O
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC Name2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESNCCn1cc(-c2nc(-c3ccc(F)cn3)no2)nn1
InChIInChI=1S/C11H10FN7O/c12-7-1-2-8(14-5-7)10-15-11(20-17-10)9-6-19(4-3-13)18-16-9/h1-2,5-6H,3-4,13H2
InChIKeyZVWDSBBNXVGTMQ-UHFFFAOYSA-N
XLogP0.49
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (CID 79719316) is 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is NCCn1cc(-c2nc(-c3ccc(F)cn3)no2)nn1.
What is the InChIKey of 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The InChIKey is ZVWDSBBNXVGTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN7O/c12-7-1-2-8(14-5-7)10-15-11(20-17-10)9-6-19(4-3-13)18-16-9/h1-2,5-6H,3-4,13H2.
What are the key properties of 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine has a molecular weight of 275.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is sourced from PubChem (CID 79719316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).