3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol

C12H9N3O2 — CID 137006539

IUPAC3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1ccc2nnc(-c3ccccc3O)n2c1
InChIInChI=1S/C12H9N3O2/c16-8-5-6-11-13-14-12(15(11)7-8)9-3-1-2-4-10(9)17/h1-7,16-17H
InChIKeyADDOJWCSQXGEJQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.81
Rot. Bonds1

About 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol

3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 137006539) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID137006539
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1ccc2nnc(-c3ccccc3O)n2c1
InChIInChI=1S/C12H9N3O2/c16-8-5-6-11-13-14-12(15(11)7-8)9-3-1-2-4-10(9)17/h1-7,16-17H
InChIKeyADDOJWCSQXGEJQ-UHFFFAOYSA-N
XLogP1.81
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 137006539) is 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol is Oc1ccc2nnc(-c3ccccc3O)n2c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is ADDOJWCSQXGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-8-5-6-11-13-14-12(15(11)7-8)9-3-1-2-4-10(9)17/h1-7,16-17H.
What are the key properties of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 227.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 137006539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).