4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one

C18H19N3O3 — CID 3740925

IUPAC4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
SMILESCOc1cccc(-n2c(C)nn(CCOc3ccccc3)c2=O)c1
InChIInChI=1S/C18H19N3O3/c1-14-19-20(11-12-24-16-8-4-3-5-9-16)18(22)21(14)15-7-6-10-17(13-15)23-2/h3-10,13H,11-12H2,1-2H3
InChIKeyYSKICCAUOGTEPO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.43
Rot. Bonds6

About 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one

4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one (PubChem CID 3740925) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
PubChem CID3740925
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
SMILESCOc1cccc(-n2c(C)nn(CCOc3ccccc3)c2=O)c1
InChIInChI=1S/C18H19N3O3/c1-14-19-20(11-12-24-16-8-4-3-5-9-16)18(22)21(14)15-7-6-10-17(13-15)23-2/h3-10,13H,11-12H2,1-2H3
InChIKeyYSKICCAUOGTEPO-UHFFFAOYSA-N
XLogP2.43
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one (CID 3740925) is 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one is COc1cccc(-n2c(C)nn(CCOc3ccccc3)c2=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one?
The InChIKey is YSKICCAUOGTEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-14-19-20(11-12-24-16-8-4-3-5-9-16)18(22)21(14)15-7-6-10-17(13-15)23-2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one?
4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one has a molecular weight of 325.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 3740925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).