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

C13H11N3O2 — CID 117139567

IUPAC3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1cccc(Cc2nnc3ccc(O)cn23)c1
InChIInChI=1S/C13H11N3O2/c17-10-3-1-2-9(6-10)7-13-15-14-12-5-4-11(18)8-16(12)13/h1-6,8,17-18H,7H2
InChIKeyFJGSDNGAMOLJSI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.73
Rot. Bonds2

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

3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117139567) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117139567
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1cccc(Cc2nnc3ccc(O)cn23)c1
InChIInChI=1S/C13H11N3O2/c17-10-3-1-2-9(6-10)7-13-15-14-12-5-4-11(18)8-16(12)13/h1-6,8,17-18H,7H2
InChIKeyFJGSDNGAMOLJSI-UHFFFAOYSA-N
XLogP1.73
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117139567) is 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is Oc1cccc(Cc2nnc3ccc(O)cn23)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is FJGSDNGAMOLJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-10-3-1-2-9(6-10)7-13-15-14-12-5-4-11(18)8-16(12)13/h1-6,8,17-18H,7H2.
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 241.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117139567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).