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

C17H17N5O2 — CID 47093391

IUPAC2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2n[nH]c(-c3ccncc3)n2)c(C)c1
InChIInChI=1S/C17H17N5O2/c1-11-3-4-14(12(2)9-11)24-10-15(23)19-17-20-16(21-22-17)13-5-7-18-8-6-13/h3-9H,10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyQEFVUGIFGPDHBB-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.50
Rot. Bonds5

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

2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 47093391) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID47093391
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2n[nH]c(-c3ccncc3)n2)c(C)c1
InChIInChI=1S/C17H17N5O2/c1-11-3-4-14(12(2)9-11)24-10-15(23)19-17-20-16(21-22-17)13-5-7-18-8-6-13/h3-9H,10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyQEFVUGIFGPDHBB-UHFFFAOYSA-N
XLogP2.50
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 47093391) is 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is Cc1ccc(OCC(=O)Nc2n[nH]c(-c3ccncc3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is QEFVUGIFGPDHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-3-4-14(12(2)9-11)24-10-15(23)19-17-20-16(21-22-17)13-5-7-18-8-6-13/h3-9H,10H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 47093391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).