5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole

C14H9Cl3N4O — CID 1479497

IUPAC5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N4O/c1-22-13-7-12(10(16)6-11(13)17)21-14(18-19-20-21)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyQKROYJDAACJEID-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.30
Rot. Bonds3

About 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole

5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole (PubChem CID 1479497) has the molecular formula C14H9Cl3N4O and a molecular weight of 355.61 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole
PubChem CID1479497
Molecular FormulaC14H9Cl3N4O
Molecular Weight355.61 g/mol
Exact Mass353.98
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N4O/c1-22-13-7-12(10(16)6-11(13)17)21-14(18-19-20-21)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyQKROYJDAACJEID-UHFFFAOYSA-N
XLogP4.30
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole (CID 1479497) is 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole is COc1cc(-n2nnnc2-c2ccc(Cl)cc2)c(Cl)cc1Cl.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole?
The InChIKey is QKROYJDAACJEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N4O/c1-22-13-7-12(10(16)6-11(13)17)21-14(18-19-20-21)8-2-4-9(15)5-3-8/h2-7H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole?
5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole has a molecular weight of 355.61 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichloro-5-methoxyphenyl)tetrazole is sourced from PubChem (CID 1479497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).