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Home Other Building Blocks 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one

5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one

CAS No.:
95885-13-5
Catalog Number:
AG005WY3
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
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Product Description
Catalog Number:
AG005WY3
Chemical Name:
5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one
CAS Number:
95885-13-5
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD02956044
IUPAC Name:
3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C12H15N3O2/c1-2-11-13-14-12(16)15(11)8-9-17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16)
InChI Key:
STUGRPIYVZOYAH-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(=O)n1CCOc1ccccc1
EC Number:
414-470-3
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
LC determination and purity evaluation of nefazodone HCl in bulk drug and pharmaceutical formulations. Journal of pharmaceutical and biomedical analysis 20011101
Properties