2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C13H10ClN3O — CID 117132733

IUPAC2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Cc3ccccc3Cl)[nH]n12
InChIInChI=1S/C13H10ClN3O/c14-10-5-2-1-4-9(10)8-11-15-12-6-3-7-13(18)17(12)16-11/h1-7H,8H2,(H,15,16)
InChIKeyZNZSQCOOYUEAJS-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.27
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132733) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132733
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Cc3ccccc3Cl)[nH]n12
InChIInChI=1S/C13H10ClN3O/c14-10-5-2-1-4-9(10)8-11-15-12-6-3-7-13(18)17(12)16-11/h1-7H,8H2,(H,15,16)
InChIKeyZNZSQCOOYUEAJS-UHFFFAOYSA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132733) is 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(Cc3ccccc3Cl)[nH]n12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is ZNZSQCOOYUEAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-10-5-2-1-4-9(10)8-11-15-12-6-3-7-13(18)17(12)16-11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 259.70 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).