5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine

C9H9N3Se — CID 166447202

IUPAC5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine
SMILESCc1ccccc1-c1nnc(N)[se]1
InChIInChI=1S/C9H9N3Se/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyAVLPXIUPMROJOU-UHFFFAOYSA-N
MW238.15 g/mol
LogP1.09
Rot. Bonds1

About 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine

5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine (PubChem CID 166447202) has the molecular formula C9H9N3Se and a molecular weight of 238.15 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine
PubChem CID166447202
Molecular FormulaC9H9N3Se
Molecular Weight238.15 g/mol
Exact Mass239.00
IUPAC Name5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine
SMILESCc1ccccc1-c1nnc(N)[se]1
InChIInChI=1S/C9H9N3Se/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyAVLPXIUPMROJOU-UHFFFAOYSA-N
XLogP1.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine 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

5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
1,3,4-Thiadiazole, 2-amino-5-(o-tolyl)-, hydrochloride
CID 11971460
5-(2-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590958
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
2-tert-butyl-5-phenyl-2H-tetrazole
CID 671797
2-[5-(2-Ethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140351
5-Phenyl-1,3,4-selenadiazol-2-amine
CID 568594
5-(4-Fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091158
[4-Fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
CID 21069889
N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
CID 89353834
5-(2-Fluoro-6-methylphenyl)-2-methyltetrazole
CID 123970933
5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole
CID 173044094

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine?
The IUPAC name of 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine (CID 166447202) is 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine.
What is the SMILES notation for 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine?
The canonical SMILES for 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine is Cc1ccccc1-c1nnc(N)[se]1.
What is the InChIKey of 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine?
The InChIKey is AVLPXIUPMROJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3Se/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine?
5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine has a molecular weight of 238.15 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1,3,4-selenadiazol-2-amine is sourced from PubChem (CID 166447202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).