2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine

C20H17N3O2 — CID 141034768

IUPAC2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1coc(-c2nc3cc(Oc4ccc5c(c4)CCCC5)ccn3n2)c1
InChIInChI=1S/C20H17N3O2/c1-2-5-15-12-16(8-7-14(15)4-1)25-17-9-10-23-19(13-17)21-20(22-23)18-6-3-11-24-18/h3,6-13H,1-2,4-5H2
InChIKeyPBTGZSGRTQMOBV-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.66
Rot. Bonds3

About 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine

2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 141034768) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID141034768
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1coc(-c2nc3cc(Oc4ccc5c(c4)CCCC5)ccn3n2)c1
InChIInChI=1S/C20H17N3O2/c1-2-5-15-12-16(8-7-14(15)4-1)25-17-9-10-23-19(13-17)21-20(22-23)18-6-3-11-24-18/h3,6-13H,1-2,4-5H2
InChIKeyPBTGZSGRTQMOBV-UHFFFAOYSA-N
XLogP4.66
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 141034768) is 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine is c1coc(-c2nc3cc(Oc4ccc5c(c4)CCCC5)ccn3n2)c1.
What is the InChIKey of 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PBTGZSGRTQMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-5-15-12-16(8-7-14(15)4-1)25-17-9-10-23-19(13-17)21-20(22-23)18-6-3-11-24-18/h3,6-13H,1-2,4-5H2.
What are the key properties of 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine?
2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 331.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 141034768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).