5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole

C5H5Cl5N4 — CID 69382124

IUPAC5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole
SMILESCCC1(C(Cl)(Cl)C(Cl)(Cl)Cl)N=NN=N1
InChIInChI=1S/C5H5Cl5N4/c1-2-3(11-13-14-12-3)4(6,7)5(8,9)10/h2H2,1H3
InChIKeyHOMBXPCPTMLGMN-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.47
Rot. Bonds2

About 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole

5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole (PubChem CID 69382124) has the molecular formula C5H5Cl5N4 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole
PubChem CID69382124
Molecular FormulaC5H5Cl5N4
Molecular Weight298.39 g/mol
Exact Mass295.90
IUPAC Name5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole
SMILESCCC1(C(Cl)(Cl)C(Cl)(Cl)Cl)N=NN=N1
InChIInChI=1S/C5H5Cl5N4/c1-2-3(11-13-14-12-3)4(6,7)5(8,9)10/h2H2,1H3
InChIKeyHOMBXPCPTMLGMN-UHFFFAOYSA-N
XLogP4.47
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole?
The IUPAC name of 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole (CID 69382124) is 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole.
What is the SMILES notation for 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole?
The canonical SMILES for 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole is CCC1(C(Cl)(Cl)C(Cl)(Cl)Cl)N=NN=N1.
What is the InChIKey of 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole?
The InChIKey is HOMBXPCPTMLGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl5N4/c1-2-3(11-13-14-12-3)4(6,7)5(8,9)10/h2H2,1H3.
What are the key properties of 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole?
5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole has a molecular weight of 298.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole is sourced from PubChem (CID 69382124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).