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

C11H9N5O2 — CID 60592154

IUPAC2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H9N5O2/c12-5-8-3-1-2-4-9(8)18-6-10(17)15-11-13-7-14-16-11/h1-4,7H,6H2,(H2,13,14,15,16,17)
InChIKeyZJIBOLQNUPCULP-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.69
Rot. Bonds4

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

2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 60592154) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID60592154
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H9N5O2/c12-5-8-3-1-2-4-9(8)18-6-10(17)15-11-13-7-14-16-11/h1-4,7H,6H2,(H2,13,14,15,16,17)
InChIKeyZJIBOLQNUPCULP-UHFFFAOYSA-N
XLogP0.69
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285823
3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 75434882
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
2-(2-cyanophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 18292317
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
2-(2-cyanophenoxy)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7433407
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 60592154) is 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is N#Cc1ccccc1OCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ZJIBOLQNUPCULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c12-5-8-3-1-2-4-9(8)18-6-10(17)15-11-13-7-14-16-11/h1-4,7H,6H2,(H2,13,14,15,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 243.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 60592154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).