2-benzylbenzotriazole

C13H11N3 — CID 3810549

IUPAC2-benzylbenzotriazole
SMILESc1ccc(Cn2nc3ccccc3n2)cc1
InChIInChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-14-12-8-4-5-9-13(12)15-16/h1-9H,10H2
InChIKeyLJVWBACGGDLQQX-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.48
Rot. Bonds2

About 2-benzylbenzotriazole

2-benzylbenzotriazole (PubChem CID 3810549) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-benzylbenzotriazole.

Molecular Properties

Compound Name2-benzylbenzotriazole
PubChem CID3810549
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-benzylbenzotriazole
SMILESc1ccc(Cn2nc3ccccc3n2)cc1
InChIInChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-14-12-8-4-5-9-13(12)15-16/h1-9H,10H2
InChIKeyLJVWBACGGDLQQX-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylbenzotriazole?
The IUPAC name of 2-benzylbenzotriazole (CID 3810549) is 2-benzylbenzotriazole.
What is the SMILES notation for 2-benzylbenzotriazole?
The canonical SMILES for 2-benzylbenzotriazole is c1ccc(Cn2nc3ccccc3n2)cc1.
What is the InChIKey of 2-benzylbenzotriazole?
The InChIKey is LJVWBACGGDLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-14-12-8-4-5-9-13(12)15-16/h1-9H,10H2.
What are the key properties of 2-benzylbenzotriazole?
2-benzylbenzotriazole has a molecular weight of 209.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbenzotriazole is sourced from PubChem (CID 3810549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).