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

C12H14N4O2 — CID 698942

IUPAC2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-2-9-3-5-10(6-4-9)18-7-11(17)15-12-13-8-14-16-12/h3-6,8H,2,7H2,1H3,(H2,13,14,15,16,17)
InChIKeyCBURGJOQDWHGSX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.38
Rot. Bonds5

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

2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 698942) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID698942
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-2-9-3-5-10(6-4-9)18-7-11(17)15-12-13-8-14-16-12/h3-6,8H,2,7H2,1H3,(H2,13,14,15,16,17)
InChIKeyCBURGJOQDWHGSX-UHFFFAOYSA-N
XLogP1.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(4-bromo-2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1119557
N-tert-butyl-2-{4-[(1H-1,2,4-triazol-3-ylamino)methyl]phenoxy}acetamide
CID 962363
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
2-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 698942) is 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is CCc1ccc(OCC(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is CBURGJOQDWHGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-9-3-5-10(6-4-9)18-7-11(17)15-12-13-8-14-16-12/h3-6,8H,2,7H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 698942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).