5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole

C15H13ClN4 — CID 103084274

IUPAC5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole
SMILESCC(Cl)c1nnnn1-c1ccccc1-c1ccccc1
InChIInChI=1S/C15H13ClN4/c1-11(16)15-17-18-19-20(15)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyYSBBQAAWNZXSTH-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.63
Rot. Bonds3

About 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole

5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole (PubChem CID 103084274) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole
PubChem CID103084274
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole
SMILESCC(Cl)c1nnnn1-c1ccccc1-c1ccccc1
InChIInChI=1S/C15H13ClN4/c1-11(16)15-17-18-19-20(15)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyYSBBQAAWNZXSTH-UHFFFAOYSA-N
XLogP3.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole (CID 103084274) is 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole is CC(Cl)c1nnnn1-c1ccccc1-c1ccccc1.
What is the InChIKey of 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole?
The InChIKey is YSBBQAAWNZXSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-11(16)15-17-18-19-20(15)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole?
5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole has a molecular weight of 284.75 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole is sourced from PubChem (CID 103084274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).