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

C13H11N3O — CID 117132580

IUPAC2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Cc3ccccc3)[nH]n12
InChIInChI=1S/C13H11N3O/c17-13-8-4-7-12-14-11(15-16(12)13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChIKeyHSXGWRIONRSKOO-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.61
Rot. Bonds2

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

2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132580) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132580
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Cc3ccccc3)[nH]n12
InChIInChI=1S/C13H11N3O/c17-13-8-4-7-12-14-11(15-16(12)13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChIKeyHSXGWRIONRSKOO-UHFFFAOYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879154
2-amino-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 681947
2-benzyl-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 935434
2-benzyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 3905946
2-(2-Phenylethyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666509
2-benzyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 934699
2-benzyl-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 934923
5-phenyl-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1263357
2-[(4-fluorophenyl)methyl]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155527742
5-benzyl-2-[(4-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155536482
5-(4-fluorophenyl)-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 6462457

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132580) is 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(Cc3ccccc3)[nH]n12.
What is the InChIKey of 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is HSXGWRIONRSKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-8-4-7-12-14-11(15-16(12)13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15).
What are the key properties of 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 225.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).