1-phenylselanylbenzotriazole

C12H9N3Se — CID 15266979

IUPAC1-phenylselanylbenzotriazole
SMILESc1ccc([Se]n2nnc3ccccc32)cc1
InChIInChI=1S/C12H9N3Se/c1-2-6-10(7-3-1)16-15-12-9-5-4-8-11(12)13-14-15/h1-9H
InChIKeyREIKNUZXOXFWLD-UHFFFAOYSA-N
MW274.19 g/mol
LogP1.22
Rot. Bonds2

About 1-phenylselanylbenzotriazole

1-phenylselanylbenzotriazole (PubChem CID 15266979) has the molecular formula C12H9N3Se and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-phenylselanylbenzotriazole.

Molecular Properties

Compound Name1-phenylselanylbenzotriazole
PubChem CID15266979
Molecular FormulaC12H9N3Se
Molecular Weight274.19 g/mol
Exact Mass275.00
IUPAC Name1-phenylselanylbenzotriazole
SMILESc1ccc([Se]n2nnc3ccccc32)cc1
InChIInChI=1S/C12H9N3Se/c1-2-6-10(7-3-1)16-15-12-9-5-4-8-11(12)13-14-15/h1-9H
InChIKeyREIKNUZXOXFWLD-UHFFFAOYSA-N
XLogP1.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 51.22
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

tris(benzotriazol-1-yl)borane
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azanium 1-oxidobenzotriazole
CID 23118068
argon;1-hydroxybenzotriazole
CID 87516361
CID 68739763
CID 68739763
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
1-(aziridin-1-yl)benzotriazole
CID 137470324
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
benzotriazole-1-carbonitrile
CID 854385
methane;1-methoxybenzotriazole
CID 161160564
1-(10-phenylanthracen-9-yl)benzotriazole
CID 87098242
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
pyrrolo[1,2-c][1,2,3]benzotriazine
CID 70352768

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanylbenzotriazole?
The IUPAC name of 1-phenylselanylbenzotriazole (CID 15266979) is 1-phenylselanylbenzotriazole.
What is the SMILES notation for 1-phenylselanylbenzotriazole?
The canonical SMILES for 1-phenylselanylbenzotriazole is c1ccc([Se]n2nnc3ccccc32)cc1.
What is the InChIKey of 1-phenylselanylbenzotriazole?
The InChIKey is REIKNUZXOXFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3Se/c1-2-6-10(7-3-1)16-15-12-9-5-4-8-11(12)13-14-15/h1-9H.
What are the key properties of 1-phenylselanylbenzotriazole?
1-phenylselanylbenzotriazole has a molecular weight of 274.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanylbenzotriazole is sourced from PubChem (CID 15266979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).