1-(3,4-dichlorophenyl)-5-phenyltetrazole

C13H8Cl2N4 — CID 773470

IUPAC1-(3,4-dichlorophenyl)-5-phenyltetrazole
SMILESClc1ccc(-n2nnnc2-c2ccccc2)cc1Cl
InChIInChI=1S/C13H8Cl2N4/c14-11-7-6-10(8-12(11)15)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyYFECSBVWUMAIQM-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.64
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-5-phenyltetrazole

1-(3,4-dichlorophenyl)-5-phenyltetrazole (PubChem CID 773470) has the molecular formula C13H8Cl2N4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-phenyltetrazole
PubChem CID773470
Molecular FormulaC13H8Cl2N4
Molecular Weight291.14 g/mol
Exact Mass290.01
IUPAC Name1-(3,4-dichlorophenyl)-5-phenyltetrazole
SMILESClc1ccc(-n2nnnc2-c2ccccc2)cc1Cl
InChIInChI=1S/C13H8Cl2N4/c14-11-7-6-10(8-12(11)15)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyYFECSBVWUMAIQM-UHFFFAOYSA-N
XLogP3.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-phenyltetrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-phenyltetrazole (CID 773470) is 1-(3,4-dichlorophenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-phenyltetrazole is Clc1ccc(-n2nnnc2-c2ccccc2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-phenyltetrazole?
The InChIKey is YFECSBVWUMAIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4/c14-11-7-6-10(8-12(11)15)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-(3,4-dichlorophenyl)-5-phenyltetrazole?
1-(3,4-dichlorophenyl)-5-phenyltetrazole has a molecular weight of 291.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-phenyltetrazole is sourced from PubChem (CID 773470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).