5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole

C15H12Cl2N4 — CID 2799588

IUPAC5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H12Cl2N4/c1-9-3-6-14(10(2)7-9)21-15(18-19-20-21)11-4-5-12(16)13(17)8-11/h3-8H,1-2H3
InChIKeyLNGPFUXZZUNYMX-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.25
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole

5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole (PubChem CID 2799588) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole
PubChem CID2799588
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H12Cl2N4/c1-9-3-6-14(10(2)7-9)21-15(18-19-20-21)11-4-5-12(16)13(17)8-11/h3-8H,1-2H3
InChIKeyLNGPFUXZZUNYMX-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole (CID 2799588) is 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole is Cc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole?
The InChIKey is LNGPFUXZZUNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-9-3-6-14(10(2)7-9)21-15(18-19-20-21)11-4-5-12(16)13(17)8-11/h3-8H,1-2H3.
What are the key properties of 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole?
5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole has a molecular weight of 319.20 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole is sourced from PubChem (CID 2799588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).