5-ethyl-2-(trichloromethyl)tetrazole

C4H5Cl3N4 — CID 69033862

IUPAC5-ethyl-2-(trichloromethyl)tetrazole
SMILESCCc1nnn(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C4H5Cl3N4/c1-2-3-8-10-11(9-3)4(5,6)7/h2H2,1H3
InChIKeyNYENAGODRALKNX-UHFFFAOYSA-N
MW215.47 g/mol
LogP1.52
Rot. Bonds1

About 5-ethyl-2-(trichloromethyl)tetrazole

5-ethyl-2-(trichloromethyl)tetrazole (PubChem CID 69033862) has the molecular formula C4H5Cl3N4 and a molecular weight of 215.47 g/mol. Its IUPAC name is 5-ethyl-2-(trichloromethyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-2-(trichloromethyl)tetrazole
PubChem CID69033862
Molecular FormulaC4H5Cl3N4
Molecular Weight215.47 g/mol
Exact Mass213.96
IUPAC Name5-ethyl-2-(trichloromethyl)tetrazole
SMILESCCc1nnn(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C4H5Cl3N4/c1-2-3-8-10-11(9-3)4(5,6)7/h2H2,1H3
InChIKeyNYENAGODRALKNX-UHFFFAOYSA-N
XLogP1.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.47
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
CID 660408
2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole
CID 146144325
2-(5-dodecyltetrazol-2-yl)-2-methylpropanoate
CID 21469547
3-(5-ethyltetrazol-2-yl)cyclopentane-1,2-diol
CID 142697768
5-ethyl-2-(3-methylphenyl)tetrazole
CID 143793801
1-ethyl-5-fluoro-4-(1,1,2,2,2-pentachloroethyl)triazole
CID 87804221
4-ethyl-1-methyl-5-(trichloromethyl)triazole
CID 69382532
aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile
CID 69421706
5-(phenoxymethyl)-2-trityltetrazole
CID 12035039
(NE)-N-[1-(3-ethyl-1,2,4-triazol-1-yl)-2,2-dimethylpropylidene]hydroxylamine
CID 20518312
2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride
CID 84789843
5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole
CID 71031122

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(trichloromethyl)tetrazole?
The IUPAC name of 5-ethyl-2-(trichloromethyl)tetrazole (CID 69033862) is 5-ethyl-2-(trichloromethyl)tetrazole.
What is the SMILES notation for 5-ethyl-2-(trichloromethyl)tetrazole?
The canonical SMILES for 5-ethyl-2-(trichloromethyl)tetrazole is CCc1nnn(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 5-ethyl-2-(trichloromethyl)tetrazole?
The InChIKey is NYENAGODRALKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl3N4/c1-2-3-8-10-11(9-3)4(5,6)7/h2H2,1H3.
What are the key properties of 5-ethyl-2-(trichloromethyl)tetrazole?
5-ethyl-2-(trichloromethyl)tetrazole has a molecular weight of 215.47 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(trichloromethyl)tetrazole is sourced from PubChem (CID 69033862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).