5-(2-chlorophenyl)-2H-tetrazole

C7H5ClN4 — CID 560735

IUPAC5-(2-chlorophenyl)-2H-tetrazole
SMILESClc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyPSUIIKIEUATWCZ-UHFFFAOYSA-N
MW180.60 g/mol
LogP1.52
Rot. Bonds1

About 5-(2-chlorophenyl)-2H-tetrazole

5-(2-chlorophenyl)-2H-tetrazole (PubChem CID 560735) has the molecular formula C7H5ClN4 and a molecular weight of 180.60 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2H-tetrazole
PubChem CID560735
Molecular FormulaC7H5ClN4
Molecular Weight180.60 g/mol
Exact Mass180.02
IUPAC Name5-(2-chlorophenyl)-2H-tetrazole
SMILESClc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyPSUIIKIEUATWCZ-UHFFFAOYSA-N
XLogP1.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.60
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2H-tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2H-tetrazole (CID 560735) is 5-(2-chlorophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2H-tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2H-tetrazole is Clc1ccccc1-c1nn[nH]n1.
What is the InChIKey of 5-(2-chlorophenyl)-2H-tetrazole?
The InChIKey is PSUIIKIEUATWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12).
What are the key properties of 5-(2-chlorophenyl)-2H-tetrazole?
5-(2-chlorophenyl)-2H-tetrazole has a molecular weight of 180.60 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2H-tetrazole is sourced from PubChem (CID 560735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).