5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole

C14H8Cl4N4 — CID 11516301

IUPAC5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole
SMILESClc1cccc(-c2nnnn2Cc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C14H8Cl4N4/c15-10-4-2-5-11(16)9(10)7-22-14(19-20-21-22)8-3-1-6-12(17)13(8)18/h1-6H,7H2
InChIKeyTZTMDILIBJJPCG-UHFFFAOYSA-N
MW374.06 g/mol
LogP5.00
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole

5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole (PubChem CID 11516301) has the molecular formula C14H8Cl4N4 and a molecular weight of 374.06 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole
PubChem CID11516301
Molecular FormulaC14H8Cl4N4
Molecular Weight374.06 g/mol
Exact Mass371.95
IUPAC Name5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole
SMILESClc1cccc(-c2nnnn2Cc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C14H8Cl4N4/c15-10-4-2-5-11(16)9(10)7-22-14(19-20-21-22)8-3-1-6-12(17)13(8)18/h1-6H,7H2
InChIKeyTZTMDILIBJJPCG-UHFFFAOYSA-N
XLogP5.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole?
The IUPAC name of 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole (CID 11516301) is 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole?
The canonical SMILES for 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole is Clc1cccc(-c2nnnn2Cc2c(Cl)cccc2Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole?
The InChIKey is TZTMDILIBJJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4N4/c15-10-4-2-5-11(16)9(10)7-22-14(19-20-21-22)8-3-1-6-12(17)13(8)18/h1-6H,7H2.
What are the key properties of 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole?
5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole has a molecular weight of 374.06 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-1-[(2,6-dichlorophenyl)methyl]tetrazole is sourced from PubChem (CID 11516301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).