1-(2-phenylethyl)benzotriazole

C14H13N3 — CID 733621

IUPAC1-(2-phenylethyl)benzotriazole
SMILESc1ccc(CCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H13N3/c1-2-6-12(7-3-1)10-11-17-14-9-5-4-8-13(14)15-16-17/h1-9H,10-11H2
InChIKeyGBHXISDJTKHBFA-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-phenylethyl)benzotriazole

1-(2-phenylethyl)benzotriazole (PubChem CID 733621) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-phenylethyl)benzotriazole.

Molecular Properties

Compound Name1-(2-phenylethyl)benzotriazole
PubChem CID733621
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-(2-phenylethyl)benzotriazole
SMILESc1ccc(CCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H13N3/c1-2-6-12(7-3-1)10-11-17-14-9-5-4-8-13(14)15-16-17/h1-9H,10-11H2
InChIKeyGBHXISDJTKHBFA-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)benzotriazole?
The IUPAC name of 1-(2-phenylethyl)benzotriazole (CID 733621) is 1-(2-phenylethyl)benzotriazole.
What is the SMILES notation for 1-(2-phenylethyl)benzotriazole?
The canonical SMILES for 1-(2-phenylethyl)benzotriazole is c1ccc(CCn2nnc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenylethyl)benzotriazole?
The InChIKey is GBHXISDJTKHBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-6-12(7-3-1)10-11-17-14-9-5-4-8-13(14)15-16-17/h1-9H,10-11H2.
What are the key properties of 1-(2-phenylethyl)benzotriazole?
1-(2-phenylethyl)benzotriazole has a molecular weight of 223.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)benzotriazole is sourced from PubChem (CID 733621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).