N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C11H12N4O2 — CID 2714444

IUPACN-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCCNC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C11H12N4O2/c1-2-12-10(16)7-15-11(17)8-5-3-4-6-9(8)13-14-15/h3-6H,2,7H2,1H3,(H,12,16)
InChIKeyVGNXLIYWYHTHTM-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.07
Rot. Bonds3

About N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 2714444) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID2714444
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCCNC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C11H12N4O2/c1-2-12-10(16)7-15-11(17)8-5-3-4-6-9(8)13-14-15/h3-6H,2,7H2,1H3,(H,12,16)
InChIKeyVGNXLIYWYHTHTM-UHFFFAOYSA-N
XLogP-0.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24516361
N-[(2S)-2-ethylhexyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879338
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17441684
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 2714444) is N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CCNC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is VGNXLIYWYHTHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-12-10(16)7-15-11(17)8-5-3-4-6-9(8)13-14-15/h3-6H,2,7H2,1H3,(H,12,16).
What are the key properties of N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 2714444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).