trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium

C12H17N2OSe+ — CID 25112142

IUPACtrimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium
SMILESC[N+](C)(C)CCn1[se]c2ccccc2c1=O
InChIInChI=1S/C12H17N2OSe/c1-14(2,3)9-8-13-12(15)10-6-4-5-7-11(10)16-13/h4-7H,8-9H2,1-3H3/q+1
InChIKeyVWPMAIZMPOCOKS-UHFFFAOYSA-N
MW284.24 g/mol
LogP0.76
Rot. Bonds3

About trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium

trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium (PubChem CID 25112142) has the molecular formula C12H17N2OSe+ and a molecular weight of 284.24 g/mol. Its IUPAC name is trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium
PubChem CID25112142
Molecular FormulaC12H17N2OSe+
Molecular Weight284.24 g/mol
Exact Mass285.05
IUPAC Nametrimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium
SMILESC[N+](C)(C)CCn1[se]c2ccccc2c1=O
InChIInChI=1S/C12H17N2OSe/c1-14(2,3)9-8-13-12(15)10-6-4-5-7-11(10)16-13/h4-7H,8-9H2,1-3H3/q+1
InChIKeyVWPMAIZMPOCOKS-UHFFFAOYSA-N
XLogP0.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium 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,N-diethyl-m-toluamide
CID 4284
N-Methylphthalimide
CID 11074
N,N-Diethylbenzamide
CID 15542
2-Methyl-N,N-diethylbenzamide
CID 75945
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Isopropylphthalimide
CID 67535
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N-Butylphthalimide
CID 73812
Ethaselen
CID 10387485
N,N-Dimethylbenzamide
CID 11916
N-Ethylphthalimide
CID 21120
N,N-Diethyl-p-toluamide
CID 75946

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium?
The IUPAC name of trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium (CID 25112142) is trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium is C[N+](C)(C)CCn1[se]c2ccccc2c1=O.
What is the InChIKey of trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium?
The InChIKey is VWPMAIZMPOCOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2OSe/c1-14(2,3)9-8-13-12(15)10-6-4-5-7-11(10)16-13/h4-7H,8-9H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium?
trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium has a molecular weight of 284.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]azanium is sourced from PubChem (CID 25112142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).