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

C14H11ClN4O2 — CID 38999439

IUPAC2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc2ccccn12
InChIInChI=1S/C14H11ClN4O2/c15-10-4-6-11(7-5-10)21-9-13(20)16-14-18-17-12-3-1-2-8-19(12)14/h1-8H,9H2,(H,16,18,20)
InChIKeyYRFWGJMZKKBDPY-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.40
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (PubChem CID 38999439) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
PubChem CID38999439
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc2ccccn12
InChIInChI=1S/C14H11ClN4O2/c15-10-4-6-11(7-5-10)21-9-13(20)16-14-18-17-12-3-1-2-8-19(12)14/h1-8H,9H2,(H,16,18,20)
InChIKeyYRFWGJMZKKBDPY-UHFFFAOYSA-N
XLogP2.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (CID 38999439) is 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1nnc2ccccn12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The InChIKey is YRFWGJMZKKBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-4-6-11(7-5-10)21-9-13(20)16-14-18-17-12-3-1-2-8-19(12)14/h1-8H,9H2,(H,16,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide has a molecular weight of 302.72 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 38999439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).