3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

C13H11N3O2 — CID 117144550

IUPAC3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(Cc3ccccc3O)n[nH]c2c1
InChIInChI=1S/C13H11N3O2/c17-10-5-6-16-12(14-15-13(16)8-10)7-9-3-1-2-4-11(9)18/h1-6,8,15,18H,7H2
InChIKeyCSFLHTJEYVQBBT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.32
Rot. Bonds2

About 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (PubChem CID 117144550) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
PubChem CID117144550
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(Cc3ccccc3O)n[nH]c2c1
InChIInChI=1S/C13H11N3O2/c17-10-5-6-16-12(14-15-13(16)8-10)7-9-3-1-2-4-11(9)18/h1-6,8,15,18H,7H2
InChIKeyCSFLHTJEYVQBBT-UHFFFAOYSA-N
XLogP1.32
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (CID 117144550) is 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is O=c1ccn2c(Cc3ccccc3O)n[nH]c2c1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The InChIKey is CSFLHTJEYVQBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-10-5-6-16-12(14-15-13(16)8-10)7-9-3-1-2-4-11(9)18/h1-6,8,15,18H,7H2.
What are the key properties of 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one has a molecular weight of 241.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is sourced from PubChem (CID 117144550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).