2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C16H12N6O2 — CID 51087351

IUPAC2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H12N6O2/c17-9-11-5-1-2-7-13(11)24-10-14(23)19-16-20-15(21-22-16)12-6-3-4-8-18-12/h1-8H,10H2,(H2,19,20,21,22,23)
InChIKeyPYTWKYOWVITONK-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.76
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 51087351) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID51087351
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H12N6O2/c17-9-11-5-1-2-7-13(11)24-10-14(23)19-16-20-15(21-22-16)12-6-3-4-8-18-12/h1-8H,10H2,(H2,19,20,21,22,23)
InChIKeyPYTWKYOWVITONK-UHFFFAOYSA-N
XLogP1.76
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 51087351) is 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is N#Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is PYTWKYOWVITONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c17-9-11-5-1-2-7-13(11)24-10-14(23)19-16-20-15(21-22-16)12-6-3-4-8-18-12/h1-8H,10H2,(H2,19,20,21,22,23).
What are the key properties of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 51087351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).