2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide

C11H12N4O2 — CID 3377494

IUPAC2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nn1cnnc1
InChIInChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-9(10)6-11(16)14-15-7-12-13-8-15/h2-5,7-8H,6H2,1H3,(H,14,16)
InChIKeyQJAVZSLGIUCRJP-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.60
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide

2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 3377494) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID3377494
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nn1cnnc1
InChIInChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-9(10)6-11(16)14-15-7-12-13-8-15/h2-5,7-8H,6H2,1H3,(H,14,16)
InChIKeyQJAVZSLGIUCRJP-UHFFFAOYSA-N
XLogP0.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide (CID 3377494) is 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide is COc1ccccc1CC(=O)Nn1cnnc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is QJAVZSLGIUCRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-9(10)6-11(16)14-15-7-12-13-8-15/h2-5,7-8H,6H2,1H3,(H,14,16).
What are the key properties of 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide?
2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 3377494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).