2-benzyl-5-(2-chlorophenyl)tetrazole

C14H11ClN4 — CID 4809386

IUPAC2-benzyl-5-(2-chlorophenyl)tetrazole
SMILESClc1ccccc1-c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C14H11ClN4/c15-13-9-5-4-8-12(13)14-16-18-19(17-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyGNZCNHIYBKAKLN-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.04
Rot. Bonds3

About 2-benzyl-5-(2-chlorophenyl)tetrazole

2-benzyl-5-(2-chlorophenyl)tetrazole (PubChem CID 4809386) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-benzyl-5-(2-chlorophenyl)tetrazole.

Molecular Properties

Compound Name2-benzyl-5-(2-chlorophenyl)tetrazole
PubChem CID4809386
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-benzyl-5-(2-chlorophenyl)tetrazole
SMILESClc1ccccc1-c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C14H11ClN4/c15-13-9-5-4-8-12(13)14-16-18-19(17-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyGNZCNHIYBKAKLN-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-chlorophenyl)tetrazole?
The IUPAC name of 2-benzyl-5-(2-chlorophenyl)tetrazole (CID 4809386) is 2-benzyl-5-(2-chlorophenyl)tetrazole.
What is the SMILES notation for 2-benzyl-5-(2-chlorophenyl)tetrazole?
The canonical SMILES for 2-benzyl-5-(2-chlorophenyl)tetrazole is Clc1ccccc1-c1nnn(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-5-(2-chlorophenyl)tetrazole?
The InChIKey is GNZCNHIYBKAKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-13-9-5-4-8-12(13)14-16-18-19(17-14)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-benzyl-5-(2-chlorophenyl)tetrazole?
2-benzyl-5-(2-chlorophenyl)tetrazole has a molecular weight of 270.72 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-chlorophenyl)tetrazole is sourced from PubChem (CID 4809386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).