6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C15H14FN3O — CID 10445879

IUPAC6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Oc3ccc(F)cc3)cn12
InChIInChI=1S/C15H14FN3O/c1-10(2)15-18-17-14-8-7-13(9-19(14)15)20-12-5-3-11(16)4-6-12/h3-10H,1-2H3
InChIKeyGHVPEROMASWITD-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.78
Rot. Bonds3

About 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 10445879) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID10445879
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Oc3ccc(F)cc3)cn12
InChIInChI=1S/C15H14FN3O/c1-10(2)15-18-17-14-8-7-13(9-19(14)15)20-12-5-3-11(16)4-6-12/h3-10H,1-2H3
InChIKeyGHVPEROMASWITD-UHFFFAOYSA-N
XLogP3.78
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 10445879) is 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(Oc3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GHVPEROMASWITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10(2)15-18-17-14-8-7-13(9-19(14)15)20-12-5-3-11(16)4-6-12/h3-10H,1-2H3.
What are the key properties of 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 271.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 10445879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).