N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

C14H10Cl2N4O2 — CID 9355738

IUPACN-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESO=C(COc1nnc2ccccn12)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N4O2/c15-9-4-5-10(16)11(7-9)17-13(21)8-22-14-19-18-12-3-1-2-6-20(12)14/h1-7H,8H2,(H,17,21)
InChIKeyREIDFZIHHVOMKL-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.05
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (PubChem CID 9355738) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
PubChem CID9355738
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC NameN-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESO=C(COc1nnc2ccccn12)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N4O2/c15-9-4-5-10(16)11(7-9)17-13(21)8-22-14-19-18-12-3-1-2-6-20(12)14/h1-7H,8H2,(H,17,21)
InChIKeyREIDFZIHHVOMKL-UHFFFAOYSA-N
XLogP3.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (CID 9355738) is N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is O=C(COc1nnc2ccccn12)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The InChIKey is REIDFZIHHVOMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c15-9-4-5-10(16)11(7-9)17-13(21)8-22-14-19-18-12-3-1-2-6-20(12)14/h1-7H,8H2,(H,17,21).
What are the key properties of N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide has a molecular weight of 337.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is sourced from PubChem (CID 9355738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).