2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide

C13H18N4O2 — CID 115577809

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H18N4O2/c1-3-6-10(2)14-12(18)9-17-13(19)16-8-5-4-7-11(16)15-17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,18)
InChIKeyIHYIMDPWIDYHEA-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.80
Rot. Bonds5

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide (PubChem CID 115577809) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
PubChem CID115577809
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H18N4O2/c1-3-6-10(2)14-12(18)9-17-13(19)16-8-5-4-7-11(16)15-17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,18)
InChIKeyIHYIMDPWIDYHEA-UHFFFAOYSA-N
XLogP0.80
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide (CID 115577809) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide?
The InChIKey is IHYIMDPWIDYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-6-10(2)14-12(18)9-17-13(19)16-8-5-4-7-11(16)15-17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,18).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 115577809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).