6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C13H10ClN3O — CID 118723232

IUPAC6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1c(Cc2ccccc2)c(Cl)cc2nc[nH]n12
InChIInChI=1S/C13H10ClN3O/c14-11-7-12-15-8-16-17(12)13(18)10(11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)
InChIKeyYJQSUCFZUGCAGH-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.27
Rot. Bonds2

About 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 118723232) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID118723232
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1c(Cc2ccccc2)c(Cl)cc2nc[nH]n12
InChIInChI=1S/C13H10ClN3O/c14-11-7-12-15-8-16-17(12)13(18)10(11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)
InChIKeyYJQSUCFZUGCAGH-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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Related Compounds

6-Benzyl-5-Chloro[1,2,4]triazolo[1,5-A]pyrimidin-7(3h)-One
CID 53338871
6-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389660
5-methyl-6-[(E)-3-phenyl-2-propenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1474418
2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155534565
6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1977262
2-amino-6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 620433
5-chloro-6-(2,4,6-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162647533
6-Phenyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one
CID 69987534
5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 15868851
5-cyclobutyl-6-[(3-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389683
5-(cyclobutadienyl)-6-[(3-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 67415168
5-(cyclobutadienyl)-6-[(3,4-difluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 67415753

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 118723232) is 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1c(Cc2ccccc2)c(Cl)cc2nc[nH]n12.
What is the InChIKey of 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is YJQSUCFZUGCAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-7-12-15-8-16-17(12)13(18)10(11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16).
What are the key properties of 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
6-benzyl-7-chloro-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 6-benzyl-7-chloro-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 118723232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).