1-(1-pyridin-2-ylpentyl)benzotriazole

C16H18N4 — CID 3562053

IUPAC1-(1-pyridin-2-ylpentyl)benzotriazole
SMILESCCCCC(c1ccccn1)n1nnc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-3-10-15(13-8-6-7-12-17-13)20-16-11-5-4-9-14(16)18-19-20/h4-9,11-12,15H,2-3,10H2,1H3
InChIKeyZKPUCBKTJQXBQJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.61
Rot. Bonds5

About 1-(1-pyridin-2-ylpentyl)benzotriazole

1-(1-pyridin-2-ylpentyl)benzotriazole (PubChem CID 3562053) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(1-pyridin-2-ylpentyl)benzotriazole.

Molecular Properties

Compound Name1-(1-pyridin-2-ylpentyl)benzotriazole
PubChem CID3562053
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(1-pyridin-2-ylpentyl)benzotriazole
SMILESCCCCC(c1ccccn1)n1nnc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-3-10-15(13-8-6-7-12-17-13)20-16-11-5-4-9-14(16)18-19-20/h4-9,11-12,15H,2-3,10H2,1H3
InChIKeyZKPUCBKTJQXBQJ-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515
1-[1-(1-methylpyrrol-3-yl)nonyl]benzotriazole
CID 4610097
1-(1-chlorododecyl)benzotriazole
CID 4561404
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
2-[1-(benzotriazol-1-yl)nonyl]-1,3-benzoxazole
CID 3709134
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
CID 22217665
1-(1,2-diphenylethyl)benzotriazole
CID 3713183

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-ylpentyl)benzotriazole?
The IUPAC name of 1-(1-pyridin-2-ylpentyl)benzotriazole (CID 3562053) is 1-(1-pyridin-2-ylpentyl)benzotriazole.
What is the SMILES notation for 1-(1-pyridin-2-ylpentyl)benzotriazole?
The canonical SMILES for 1-(1-pyridin-2-ylpentyl)benzotriazole is CCCCC(c1ccccn1)n1nnc2ccccc21.
What is the InChIKey of 1-(1-pyridin-2-ylpentyl)benzotriazole?
The InChIKey is ZKPUCBKTJQXBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-3-10-15(13-8-6-7-12-17-13)20-16-11-5-4-9-14(16)18-19-20/h4-9,11-12,15H,2-3,10H2,1H3.
What are the key properties of 1-(1-pyridin-2-ylpentyl)benzotriazole?
1-(1-pyridin-2-ylpentyl)benzotriazole has a molecular weight of 266.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-ylpentyl)benzotriazole is sourced from PubChem (CID 3562053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).