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

C10H10N4O2 — CID 818586

IUPAC2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccccc1)Nn1cnnc1
InChIInChI=1S/C10H10N4O2/c15-10(13-14-7-11-12-8-14)6-16-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,15)
InChIKeyZIJCAVVQYPWBBF-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.43
Rot. Bonds4

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

2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 818586) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID818586
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccccc1)Nn1cnnc1
InChIInChI=1S/C10H10N4O2/c15-10(13-14-7-11-12-8-14)6-16-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,15)
InChIKeyZIJCAVVQYPWBBF-UHFFFAOYSA-N
XLogP0.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide (CID 818586) is 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide is O=C(COc1ccccc1)Nn1cnnc1.
What is the InChIKey of 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is ZIJCAVVQYPWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(13-14-7-11-12-8-14)6-16-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,15).
What are the key properties of 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide?
2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 218.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 818586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).