5-chloro-1-(4-chlorophenyl)tetrazole

C7H4Cl2N4 — CID 591993

IUPAC5-chloro-1-(4-chlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2Cl)cc1
InChIInChI=1S/C7H4Cl2N4/c8-5-1-3-6(4-2-5)13-7(9)10-11-12-13/h1-4H
InChIKeyZCRYJLWKGCJOSP-UHFFFAOYSA-N
MW215.04 g/mol
LogP1.97
Rot. Bonds1

About 5-chloro-1-(4-chlorophenyl)tetrazole

5-chloro-1-(4-chlorophenyl)tetrazole (PubChem CID 591993) has the molecular formula C7H4Cl2N4 and a molecular weight of 215.04 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)tetrazole.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)tetrazole
PubChem CID591993
Molecular FormulaC7H4Cl2N4
Molecular Weight215.04 g/mol
Exact Mass213.98
IUPAC Name5-chloro-1-(4-chlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2Cl)cc1
InChIInChI=1S/C7H4Cl2N4/c8-5-1-3-6(4-2-5)13-7(9)10-11-12-13/h1-4H
InChIKeyZCRYJLWKGCJOSP-UHFFFAOYSA-N
XLogP1.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fenamole
CID 21640
1H-Tetrazole, 5-chloro-1-phenyl-
CID 84262
1-(4-chlorophenyl)-1H-tetrazole
CID 270006
5-bromo-1-phenyl-1H-1,2,3,4-tetrazole
CID 292542
Sodium 1-phenyl-1H-tetrazole-5-thiolate
CID 2735174
1-(3-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731962
1-[4-Chlorophenyl]-N,N-dimethyl-1H-tetrazol-5-amine
CID 539378
N-[1-(2,4-dichlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-N,N-dimethylamine
CID 1475255
1H-Tetrazole, 1-(4-chlorophenyl)-5-methyl-
CID 581477
1-(4-chlorophenyl)-5-(methylthio)-1H-tetrazole
CID 1243254
5-Iodo-1-phenyltetrazole
CID 914502
1-(3-Chlorophenyl)-1h-tetrazol-5-amine
CID 285134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chlorophenyl)tetrazole?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)tetrazole (CID 591993) is 5-chloro-1-(4-chlorophenyl)tetrazole.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)tetrazole?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)tetrazole is Clc1ccc(-n2nnnc2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)tetrazole?
The InChIKey is ZCRYJLWKGCJOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4/c8-5-1-3-6(4-2-5)13-7(9)10-11-12-13/h1-4H.
What are the key properties of 5-chloro-1-(4-chlorophenyl)tetrazole?
5-chloro-1-(4-chlorophenyl)tetrazole has a molecular weight of 215.04 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chlorophenyl)tetrazole is sourced from PubChem (CID 591993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).