2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H12N4O2 — CID 55021450

IUPAC2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)NCc1ncn[nH]1
InChIInChI=1S/C11H12N4O2/c16-11(12-6-10-13-8-14-15-10)7-17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)
InChIKeyMRIZDKAQHGWQPU-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.50
Rot. Bonds5

About 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 55021450) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID55021450
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)NCc1ncn[nH]1
InChIInChI=1S/C11H12N4O2/c16-11(12-6-10-13-8-14-15-10)7-17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)
InChIKeyMRIZDKAQHGWQPU-UHFFFAOYSA-N
XLogP0.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983446
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983438
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2-(2-phenylethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883436
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 79530146
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
3-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54884764
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244
3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982425

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 55021450) is 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(COc1ccccc1)NCc1ncn[nH]1.
What is the InChIKey of 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is MRIZDKAQHGWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(12-6-10-13-8-14-15-10)7-17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15).
What are the key properties of 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 55021450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).