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

C13H16N4O2 — CID 42893712

IUPACN-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NC1CCCC1
InChIInChI=1S/C13H16N4O2/c18-12(14-10-5-1-2-6-10)9-17-13(19)16-8-4-3-7-11(16)15-17/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,18)
InChIKeyZVCDZFMWMGCJJY-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.55
Rot. Bonds3

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

N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 42893712) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID42893712
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NC1CCCC1
InChIInChI=1S/C13H16N4O2/c18-12(14-10-5-1-2-6-10)9-17-13(19)16-8-4-3-7-11(16)15-17/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,18)
InChIKeyZVCDZFMWMGCJJY-UHFFFAOYSA-N
XLogP0.55
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 42893712) is N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is ZVCDZFMWMGCJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(14-10-5-1-2-6-10)9-17-13(19)16-8-4-3-7-11(16)15-17/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,18).
What are the key properties of N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 42893712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).