2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

C11H12N4O3 — CID 1084013

IUPAC2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H12N4O3/c1-17-8-4-2-3-5-9(8)18-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyFXNHXGWLVYQQON-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.83
Rot. Bonds5

About 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 1084013) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID1084013
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H12N4O3/c1-17-8-4-2-3-5-9(8)18-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyFXNHXGWLVYQQON-UHFFFAOYSA-N
XLogP0.83
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 1084013) is 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is COc1ccccc1OCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is FXNHXGWLVYQQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-8-4-2-3-5-9(8)18-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 248.24 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 1084013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).