2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

C12H16N4O — CID 47353196

IUPAC2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCCC(CC)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C12H16N4O/c1-3-9(4-2)11(17)13-12-15-14-10-7-5-6-8-16(10)12/h5-9H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyRZVZJENYLOEBCW-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.10
Rot. Bonds4

About 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 47353196) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID47353196
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCCC(CC)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C12H16N4O/c1-3-9(4-2)11(17)13-12-15-14-10-7-5-6-8-16(10)12/h5-9H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyRZVZJENYLOEBCW-UHFFFAOYSA-N
XLogP2.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 47353196) is 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is CCC(CC)C(=O)Nc1nnc2ccccn12.
What is the InChIKey of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is RZVZJENYLOEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-9(4-2)11(17)13-12-15-14-10-7-5-6-8-16(10)12/h5-9H,3-4H2,1-2H3,(H,13,15,17).
What are the key properties of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 232.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 47353196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).