3-methyl-5-phenyl-1,2-selenazole

C10H9NSe — CID 13224796

IUPAC3-methyl-5-phenyl-1,2-selenazole
SMILESCc1cc(-c2ccccc2)[se]n1
InChIInChI=1S/C10H9NSe/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyVAHXBKZTJWVMJW-UHFFFAOYSA-N
MW222.15 g/mol
LogP2.11
Rot. Bonds1

About 3-methyl-5-phenyl-1,2-selenazole

3-methyl-5-phenyl-1,2-selenazole (PubChem CID 13224796) has the molecular formula C10H9NSe and a molecular weight of 222.15 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1,2-selenazole.

Molecular Properties

Compound Name3-methyl-5-phenyl-1,2-selenazole
PubChem CID13224796
Molecular FormulaC10H9NSe
Molecular Weight222.15 g/mol
Exact Mass222.99
IUPAC Name3-methyl-5-phenyl-1,2-selenazole
SMILESCc1cc(-c2ccccc2)[se]n1
InChIInChI=1S/C10H9NSe/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyVAHXBKZTJWVMJW-UHFFFAOYSA-N
XLogP2.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Selenadiazole, 4-phenyl-
CID 141232
3-Methyl-5-phenyl-1,2-thiazole
CID 600269
3-Methyl-4-phenyl-1,2,5-thiadiazole
CID 12503516
5-(4-Fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole
CID 12969843
3-Methyl-1,2-benzoselenazole
CID 21826482
Trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
CID 139049869
3-Ethyl-5-phenyl-1,2-thiazole
CID 10035412
Jhucsmoyevmgck-uhfffaoysa-
CID 21630768
3-Methyl-4-phenyl-1,2,5-selenadiazole
CID 101663610
3-Ethyl-1,2-benzoselenazole
CID 11127530
5-Phenyl-1,2-selenazole
CID 13224790
5-Methyl-4-phenylselenadiazole
CID 134897569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-1,2-selenazole?
The IUPAC name of 3-methyl-5-phenyl-1,2-selenazole (CID 13224796) is 3-methyl-5-phenyl-1,2-selenazole.
What is the SMILES notation for 3-methyl-5-phenyl-1,2-selenazole?
The canonical SMILES for 3-methyl-5-phenyl-1,2-selenazole is Cc1cc(-c2ccccc2)[se]n1.
What is the InChIKey of 3-methyl-5-phenyl-1,2-selenazole?
The InChIKey is VAHXBKZTJWVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NSe/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-5-phenyl-1,2-selenazole?
3-methyl-5-phenyl-1,2-selenazole has a molecular weight of 222.15 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-1,2-selenazole is sourced from PubChem (CID 13224796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).