1-benzyl-5-(2,3-dichlorophenyl)tetrazole

C14H10Cl2N4 — CID 11515022

IUPAC1-benzyl-5-(2,3-dichlorophenyl)tetrazole
SMILESClc1cccc(-c2nnnn2Cc2ccccc2)c1Cl
InChIInChI=1S/C14H10Cl2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyLLHYVOKTJUIONG-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.70
Rot. Bonds3

About 1-benzyl-5-(2,3-dichlorophenyl)tetrazole

1-benzyl-5-(2,3-dichlorophenyl)tetrazole (PubChem CID 11515022) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-benzyl-5-(2,3-dichlorophenyl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(2,3-dichlorophenyl)tetrazole
PubChem CID11515022
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name1-benzyl-5-(2,3-dichlorophenyl)tetrazole
SMILESClc1cccc(-c2nnnn2Cc2ccccc2)c1Cl
InChIInChI=1S/C14H10Cl2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyLLHYVOKTJUIONG-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2,3-dichlorophenyl)tetrazole?
The IUPAC name of 1-benzyl-5-(2,3-dichlorophenyl)tetrazole (CID 11515022) is 1-benzyl-5-(2,3-dichlorophenyl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(2,3-dichlorophenyl)tetrazole?
The canonical SMILES for 1-benzyl-5-(2,3-dichlorophenyl)tetrazole is Clc1cccc(-c2nnnn2Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-5-(2,3-dichlorophenyl)tetrazole?
The InChIKey is LLHYVOKTJUIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-benzyl-5-(2,3-dichlorophenyl)tetrazole?
1-benzyl-5-(2,3-dichlorophenyl)tetrazole has a molecular weight of 305.17 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2,3-dichlorophenyl)tetrazole is sourced from PubChem (CID 11515022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).