7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C12H9N3O — CID 12528564

IUPAC7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cc(-c2ccccc2)cc2nc[nH]n12
InChIInChI=1S/C12H9N3O/c16-12-7-10(9-4-2-1-3-5-9)6-11-13-8-14-15(11)12/h1-8H,(H,13,14)
InChIKeyAYIPQDXLIFHGBB-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.69
Rot. Bonds1

About 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 12528564) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID12528564
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cc(-c2ccccc2)cc2nc[nH]n12
InChIInChI=1S/C12H9N3O/c16-12-7-10(9-4-2-1-3-5-9)6-11-13-8-14-15(11)12/h1-8H,(H,13,14)
InChIKeyAYIPQDXLIFHGBB-UHFFFAOYSA-N
XLogP1.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 12528564) is 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cc(-c2ccccc2)cc2nc[nH]n12.
What is the InChIKey of 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is AYIPQDXLIFHGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-7-10(9-4-2-1-3-5-9)6-11-13-8-14-15(11)12/h1-8H,(H,13,14).
What are the key properties of 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 211.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 12528564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).