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

C11H12N4O3 — CID 703717

IUPAC2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O3/c1-17-8-2-4-9(5-3-8)18-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyPARGTTNKDPLSDD-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.83
Rot. Bonds5

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

2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 703717) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID703717
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O3/c1-17-8-2-4-9(5-3-8)18-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyPARGTTNKDPLSDD-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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Related Compounds

2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
Acetamide, 2-(2,4-dichlorophenoxy)-N-(s-triazol-3-yl)-
CID 99363
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
1-[2-(4-methoxyphenoxy)ethyl]-1H-1,2,4-triazole
CID 976063
4-(4-methoxyphenoxy)-N-4H-1,2,4-triazol-3-ylbutanamide
CID 1568913
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838
2-(3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 6471361
4-phenoxy-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 1570043
2-(2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698936

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 703717) is 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is COc1ccc(OCC(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is PARGTTNKDPLSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-8-2-4-9(5-3-8)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-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-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-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 703717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).