2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide

C19H20N4O3 — CID 70742121

IUPAC2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(Cc2ccccc2)nn(-c2ccccc2OC)c1=O
InChIInChI=1S/C19H20N4O3/c1-20-18(24)13-22-17(12-14-8-4-3-5-9-14)21-23(19(22)25)15-10-6-7-11-16(15)26-2/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyOHGNLHYTNSLXAI-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.38
Rot. Bonds6

About 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide

2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide (PubChem CID 70742121) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
PubChem CID70742121
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(Cc2ccccc2)nn(-c2ccccc2OC)c1=O
InChIInChI=1S/C19H20N4O3/c1-20-18(24)13-22-17(12-14-8-4-3-5-9-14)21-23(19(22)25)15-10-6-7-11-16(15)26-2/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyOHGNLHYTNSLXAI-UHFFFAOYSA-N
XLogP1.38
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The IUPAC name of 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide (CID 70742121) is 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide is CNC(=O)Cn1c(Cc2ccccc2)nn(-c2ccccc2OC)c1=O.
What is the InChIKey of 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The InChIKey is OHGNLHYTNSLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-20-18(24)13-22-17(12-14-8-4-3-5-9-14)21-23(19(22)25)15-10-6-7-11-16(15)26-2/h3-11H,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide has a molecular weight of 352.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 70742121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).