N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide

C13H15N5O2 — CID 108519107

IUPACN'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nn1cnnc1
InChIInChI=1S/C13H15N5O2/c1-2-17(8-11-6-4-3-5-7-11)13(20)12(19)16-18-9-14-15-10-18/h3-7,9-10H,2,8H2,1H3,(H,16,19)
InChIKeyDGNTWHYTOLYMNX-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.40
Rot. Bonds4

About N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide

N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108519107) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide
PubChem CID108519107
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nn1cnnc1
InChIInChI=1S/C13H15N5O2/c1-2-17(8-11-6-4-3-5-7-11)13(20)12(19)16-18-9-14-15-10-18/h3-7,9-10H,2,8H2,1H3,(H,16,19)
InChIKeyDGNTWHYTOLYMNX-UHFFFAOYSA-N
XLogP0.40
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
1-benzyl-1,3-diethyl-3-sulfanylurea
CID 88794196
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide (CID 108519107) is N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide is CCN(Cc1ccccc1)C(=O)C(=O)Nn1cnnc1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is DGNTWHYTOLYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-17(8-11-6-4-3-5-7-11)13(20)12(19)16-18-9-14-15-10-18/h3-7,9-10H,2,8H2,1H3,(H,16,19).
What are the key properties of N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide?
N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 273.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108519107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).