1-(4-chlorophenyl)-5-phenyltetrazole

C13H9ClN4 — CID 767410

IUPAC1-(4-chlorophenyl)-5-phenyltetrazole
SMILESClc1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C13H9ClN4/c14-11-6-8-12(9-7-11)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H
InChIKeySXFLLGWZZXJPOB-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 1-(4-chlorophenyl)-5-phenyltetrazole

1-(4-chlorophenyl)-5-phenyltetrazole (PubChem CID 767410) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-phenyltetrazole
PubChem CID767410
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name1-(4-chlorophenyl)-5-phenyltetrazole
SMILESClc1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C13H9ClN4/c14-11-6-8-12(9-7-11)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H
InChIKeySXFLLGWZZXJPOB-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-phenyltetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-phenyltetrazole (CID 767410) is 1-(4-chlorophenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-phenyltetrazole is Clc1ccc(-n2nnnc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-phenyltetrazole?
The InChIKey is SXFLLGWZZXJPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-11-6-8-12(9-7-11)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(4-chlorophenyl)-5-phenyltetrazole?
1-(4-chlorophenyl)-5-phenyltetrazole has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-phenyltetrazole is sourced from PubChem (CID 767410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).