1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol

C16H17FN4O — CID 51075563

IUPAC1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccc(F)cc1)c1nnc2ccccn12
InChIInChI=1S/C16H17FN4O/c1-11(16-20-19-15-4-2-3-9-21(15)16)18-10-14(22)12-5-7-13(17)8-6-12/h2-9,11,14,18,22H,10H2,1H3
InChIKeyRSBYKGOIFKDEII-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol

1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol (PubChem CID 51075563) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol
PubChem CID51075563
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccc(F)cc1)c1nnc2ccccn12
InChIInChI=1S/C16H17FN4O/c1-11(16-20-19-15-4-2-3-9-21(15)16)18-10-14(22)12-5-7-13(17)8-6-12/h2-9,11,14,18,22H,10H2,1H3
InChIKeyRSBYKGOIFKDEII-UHFFFAOYSA-N
XLogP2.25
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol (CID 51075563) is 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol is CC(NCC(O)c1ccc(F)cc1)c1nnc2ccccn12.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol?
The InChIKey is RSBYKGOIFKDEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11(16-20-19-15-4-2-3-9-21(15)16)18-10-14(22)12-5-7-13(17)8-6-12/h2-9,11,14,18,22H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol?
1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol has a molecular weight of 300.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol is sourced from PubChem (CID 51075563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).