5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole

C15H13ClN4 — CID 8685521

IUPAC5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
SMILESClc1ccccc1-c1nnn(CCc2ccccc2)n1
InChIInChI=1S/C15H13ClN4/c16-14-9-5-4-8-13(14)15-17-19-20(18-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyPVRHNSAOGGREMU-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.24
Rot. Bonds4

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

5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole (PubChem CID 8685521) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
PubChem CID8685521
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
SMILESClc1ccccc1-c1nnn(CCc2ccccc2)n1
InChIInChI=1S/C15H13ClN4/c16-14-9-5-4-8-13(14)15-17-19-20(18-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyPVRHNSAOGGREMU-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
CID 56974037
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine
CID 17428992
5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole
CID 57273245
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine
CID 121005664
2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
CID 4809389
[(2S)-4-[5-(2-chlorophenyl)tetrazol-2-yl]butan-2-yl] acetate
CID 122372250
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-oxo-3-(4-phenylbutanethioylamino)pentanoic acid
CID 19707163

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole (CID 8685521) is 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole is Clc1ccccc1-c1nnn(CCc2ccccc2)n1.
What is the InChIKey of 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole?
The InChIKey is PVRHNSAOGGREMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-14-9-5-4-8-13(14)15-17-19-20(18-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole?
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole has a molecular weight of 284.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole is sourced from PubChem (CID 8685521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).