3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol

C12H9N3O — CID 71308104

IUPAC3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
SMILESOc1cccc(-c2nnc3ccccn23)c1
InChIInChI=1S/C12H9N3O/c16-10-5-3-4-9(8-10)12-14-13-11-6-1-2-7-15(11)12/h1-8,16H
InChIKeyDDKMEZZKGQJPOZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.10
Rot. Bonds1

About 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol

3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol (PubChem CID 71308104) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol.

Molecular Properties

Compound Name3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
PubChem CID71308104
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
SMILESOc1cccc(-c2nnc3ccccn23)c1
InChIInChI=1S/C12H9N3O/c16-10-5-3-4-9(8-10)12-14-13-11-6-1-2-7-15(11)12/h1-8,16H
InChIKeyDDKMEZZKGQJPOZ-UHFFFAOYSA-N
XLogP2.10
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol (CID 71308104) is 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol.
What is the SMILES notation for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The canonical SMILES for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol is Oc1cccc(-c2nnc3ccccn23)c1.
What is the InChIKey of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The InChIKey is DDKMEZZKGQJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-10-5-3-4-9(8-10)12-14-13-11-6-1-2-7-15(11)12/h1-8,16H.
What are the key properties of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol has a molecular weight of 211.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol is sourced from PubChem (CID 71308104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).