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

C16H15N5O2 — CID 51081304

IUPAC2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N5O2/c1-11-5-4-6-12(9-11)23-10-14(22)18-16-19-15(20-21-16)13-7-2-3-8-17-13/h2-9H,10H2,1H3,(H2,18,19,20,21,22)
InChIKeyKERLVTJVYMHOLQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.19
Rot. Bonds5

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

2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 51081304) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID51081304
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N5O2/c1-11-5-4-6-12(9-11)23-10-14(22)18-16-19-15(20-21-16)13-7-2-3-8-17-13/h2-9H,10H2,1H3,(H2,18,19,20,21,22)
InChIKeyKERLVTJVYMHOLQ-UHFFFAOYSA-N
XLogP2.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 51081304) is 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is KERLVTJVYMHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-5-4-6-12(9-11)23-10-14(22)18-16-19-15(20-21-16)13-7-2-3-8-17-13/h2-9H,10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 51081304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).