1-(butylselanylmethyl)benzotriazole

C11H15N3Se — CID 10635572

IUPAC1-(butylselanylmethyl)benzotriazole
SMILESCCCC[Se]Cn1nnc2ccccc21
InChIInChI=1S/C11H15N3Se/c1-2-3-8-15-9-14-11-7-5-4-6-10(11)12-13-14/h4-7H,2-3,8-9H2,1H3
InChIKeyRWEBTDLZAAMMQH-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.31
Rot. Bonds5

About 1-(butylselanylmethyl)benzotriazole

1-(butylselanylmethyl)benzotriazole (PubChem CID 10635572) has the molecular formula C11H15N3Se and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-(butylselanylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(butylselanylmethyl)benzotriazole
PubChem CID10635572
Molecular FormulaC11H15N3Se
Molecular Weight268.22 g/mol
Exact Mass269.04
IUPAC Name1-(butylselanylmethyl)benzotriazole
SMILESCCCC[Se]Cn1nnc2ccccc21
InChIInChI=1S/C11H15N3Se/c1-2-3-8-15-9-14-11-7-5-4-6-10(11)12-13-14/h4-7H,2-3,8-9H2,1H3
InChIKeyRWEBTDLZAAMMQH-UHFFFAOYSA-N
XLogP2.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tridecylbenzotriazole
CID 21059042
silver 1-octylbenzotriazole
CID 19818350
1-(benzotriazol-1-yl)undecan-2-one
CID 3783486
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
acetic acid;1-octylbenzotriazole
CID 175150004
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(benzotriazol-1-yl)-2-methylbutan-2-ol
CID 15881476
7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
CID 57277872
3-(benzotriazol-1-ylmethyl)-4-butyl-1H-1,2,4-triazole-5-thione
CID 14448175
1-[(1-butyl-4-tert-butylpyrrol-2-yl)methyl]benzotriazole
CID 3262505
N-[2-(benzotriazol-1-yl)ethyl]pentan-2-amine
CID 55087940
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915

Frequently Asked Questions

What is the IUPAC name of 1-(butylselanylmethyl)benzotriazole?
The IUPAC name of 1-(butylselanylmethyl)benzotriazole (CID 10635572) is 1-(butylselanylmethyl)benzotriazole.
What is the SMILES notation for 1-(butylselanylmethyl)benzotriazole?
The canonical SMILES for 1-(butylselanylmethyl)benzotriazole is CCCC[Se]Cn1nnc2ccccc21.
What is the InChIKey of 1-(butylselanylmethyl)benzotriazole?
The InChIKey is RWEBTDLZAAMMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3Se/c1-2-3-8-15-9-14-11-7-5-4-6-10(11)12-13-14/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-(butylselanylmethyl)benzotriazole?
1-(butylselanylmethyl)benzotriazole has a molecular weight of 268.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylselanylmethyl)benzotriazole is sourced from PubChem (CID 10635572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).