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

CAS: 95885-13-5

Molecular Formula	`C12H15N3O2`
Molecular Weight	233.27 g/mol
LogP	1.5
Topological Polar Surface Area	53.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	233.11642
Heavy Atoms	17
Complexity	298.0

Chemical Identifiers

CAS Number	95885-13-5
SMILES	`CCC1=NNC(=O)N1CCOC2=CC=CC=C2`
InChIKey	`STUGRPIYVZOYAH-UHFFFAOYSA-N`

📖 Product Overview

3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one (CAS: 95885-13-5) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.27 g/mol. Its IUPAC systematic name is 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one. LogP 1.5 Topological Polar Surface Area 53.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 233.11642 Heavy Atoms 17 Complexity 298.0 InChI Key: STUGRPIYVZOYAH-UHFFFAOYSA-N. SMILES: CCC1=NNC(=O)N1CCOC2=CC=CC=C2.

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