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

C12H11N5O2 — CID 54884862

IUPAC2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C12H11N5O2/c13-5-9-1-3-10(4-2-9)19-7-12(18)14-6-11-15-8-16-17-11/h1-4,8H,6-7H2,(H,14,18)(H,15,16,17)
InChIKeyRVWJLDLAKDQJTD-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.37
Rot. Bonds5

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

2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884862) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884862
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C12H11N5O2/c13-5-9-1-3-10(4-2-9)19-7-12(18)14-6-11-15-8-16-17-11/h1-4,8H,6-7H2,(H,14,18)(H,15,16,17)
InChIKeyRVWJLDLAKDQJTD-UHFFFAOYSA-N
XLogP0.37
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 55021450
2-(4-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725950
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983438
2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
CID 51098429
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64547578
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
3-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54884764
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983446

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884862) is 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is N#Cc1ccc(OCC(=O)NCc2ncn[nH]2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is RVWJLDLAKDQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c13-5-9-1-3-10(4-2-9)19-7-12(18)14-6-11-15-8-16-17-11/h1-4,8H,6-7H2,(H,14,18)(H,15,16,17).
What are the key properties of 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 257.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).