2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H11N3O2 — CID 62017704

IUPAC2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C10H11N3O2/c1-8(14)5-7-13-10(15)12-6-3-2-4-9(12)11-13/h2-4,6H,5,7H2,1H3
InChIKeyZIKPRWSQKAWVGA-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.48
Rot. Bonds3

About 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62017704) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62017704
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C10H11N3O2/c1-8(14)5-7-13-10(15)12-6-3-2-4-9(12)11-13/h2-4,6H,5,7H2,1H3
InChIKeyZIKPRWSQKAWVGA-UHFFFAOYSA-N
XLogP0.48
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
CID 43245331
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 75395634
2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62017704) is 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(=O)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZIKPRWSQKAWVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-8(14)5-7-13-10(15)12-6-3-2-4-9(12)11-13/h2-4,6H,5,7H2,1H3.
What are the key properties of 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 205.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62017704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).