2-decan-5-ylbenzotriazole

C16H25N3 — CID 10264563

IUPAC2-decan-5-ylbenzotriazole
SMILESCCCCCC(CCCC)n1nc2ccccc2n1
InChIInChI=1S/C16H25N3/c1-3-5-7-11-14(10-6-4-2)19-17-15-12-8-9-13-16(15)18-19/h8-9,12-14H,3-7,10-11H2,1-2H3
InChIKeyWLQNIAJEVTYUDB-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.74
Rot. Bonds8

About 2-decan-5-ylbenzotriazole

2-decan-5-ylbenzotriazole (PubChem CID 10264563) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-decan-5-ylbenzotriazole.

Molecular Properties

Compound Name2-decan-5-ylbenzotriazole
PubChem CID10264563
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-decan-5-ylbenzotriazole
SMILESCCCCCC(CCCC)n1nc2ccccc2n1
InChIInChI=1S/C16H25N3/c1-3-5-7-11-14(10-6-4-2)19-17-15-12-8-9-13-16(15)18-19/h8-9,12-14H,3-7,10-11H2,1-2H3
InChIKeyWLQNIAJEVTYUDB-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-undecan-4-ylimidazo[4,5-b]pyridine
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2-[(2S,3S)-3-(benzotriazol-2-yl)butan-2-yl]benzotriazole
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Frequently Asked Questions

What is the IUPAC name of 2-decan-5-ylbenzotriazole?
The IUPAC name of 2-decan-5-ylbenzotriazole (CID 10264563) is 2-decan-5-ylbenzotriazole.
What is the SMILES notation for 2-decan-5-ylbenzotriazole?
The canonical SMILES for 2-decan-5-ylbenzotriazole is CCCCCC(CCCC)n1nc2ccccc2n1.
What is the InChIKey of 2-decan-5-ylbenzotriazole?
The InChIKey is WLQNIAJEVTYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-5-7-11-14(10-6-4-2)19-17-15-12-8-9-13-16(15)18-19/h8-9,12-14H,3-7,10-11H2,1-2H3.
What are the key properties of 2-decan-5-ylbenzotriazole?
2-decan-5-ylbenzotriazole has a molecular weight of 259.40 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-5-ylbenzotriazole is sourced from PubChem (CID 10264563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).