1-benzyl-4-phenylselanyltriazole

C15H13N3Se — CID 102453172

IUPAC1-benzyl-4-phenylselanyltriazole
SMILESc1ccc(Cn2cc([Se]c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3Se/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)19-14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyOQRYYWXBRRPIKS-UHFFFAOYSA-N
MW314.25 g/mol
LogP0.98
Rot. Bonds4

About 1-benzyl-4-phenylselanyltriazole

1-benzyl-4-phenylselanyltriazole (PubChem CID 102453172) has the molecular formula C15H13N3Se and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-benzyl-4-phenylselanyltriazole.

Molecular Properties

Compound Name1-benzyl-4-phenylselanyltriazole
PubChem CID102453172
Molecular FormulaC15H13N3Se
Molecular Weight314.25 g/mol
Exact Mass315.03
IUPAC Name1-benzyl-4-phenylselanyltriazole
SMILESc1ccc(Cn2cc([Se]c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3Se/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)19-14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyOQRYYWXBRRPIKS-UHFFFAOYSA-N
XLogP0.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-butylselanyltriazole
CID 71513450
1-benzyl-4-fluorotriazole
CID 102109152
1,4-dibenzyltriazole
CID 56663361
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
1-benzyltriazole-4-carbonyl chloride
CID 87720228
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
(1-benzyltriazol-4-yl)-phenyldiazene
CID 162418211
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
1-benzyl-4-(2-phenylethynyl)triazole
CID 71424297
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-(1-benzyltriazol-4-yl)-N,N-bis[1-(1-benzyltriazol-4-yl)ethyl]ethanamine
CID 175127031
tris(1-benzyltriazol-4-yl)methoxyphosphane
CID 70803193

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylselanyltriazole?
The IUPAC name of 1-benzyl-4-phenylselanyltriazole (CID 102453172) is 1-benzyl-4-phenylselanyltriazole.
What is the SMILES notation for 1-benzyl-4-phenylselanyltriazole?
The canonical SMILES for 1-benzyl-4-phenylselanyltriazole is c1ccc(Cn2cc([Se]c3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-phenylselanyltriazole?
The InChIKey is OQRYYWXBRRPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3Se/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)19-14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 1-benzyl-4-phenylselanyltriazole?
1-benzyl-4-phenylselanyltriazole has a molecular weight of 314.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylselanyltriazole is sourced from PubChem (CID 102453172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).