5-ethyl-2-(2-ethylperoxyethyl)tetrazole

C7H14N4O2 — CID 88580120

IUPAC5-ethyl-2-(2-ethylperoxyethyl)tetrazole
SMILESCCOOCCn1nnc(CC)n1
InChIInChI=1S/C7H14N4O2/c1-3-7-8-10-11(9-7)5-6-13-12-4-2/h3-6H2,1-2H3
InChIKeyMLCLJFKIBFYXKD-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.20
Rot. Bonds6

About 5-ethyl-2-(2-ethylperoxyethyl)tetrazole

5-ethyl-2-(2-ethylperoxyethyl)tetrazole (PubChem CID 88580120) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-ethyl-2-(2-ethylperoxyethyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-2-(2-ethylperoxyethyl)tetrazole
PubChem CID88580120
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name5-ethyl-2-(2-ethylperoxyethyl)tetrazole
SMILESCCOOCCn1nnc(CC)n1
InChIInChI=1S/C7H14N4O2/c1-3-7-8-10-11(9-7)5-6-13-12-4-2/h3-6H2,1-2H3
InChIKeyMLCLJFKIBFYXKD-UHFFFAOYSA-N
XLogP0.20
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-ethylperoxyethyl)tetrazole?
The IUPAC name of 5-ethyl-2-(2-ethylperoxyethyl)tetrazole (CID 88580120) is 5-ethyl-2-(2-ethylperoxyethyl)tetrazole.
What is the SMILES notation for 5-ethyl-2-(2-ethylperoxyethyl)tetrazole?
The canonical SMILES for 5-ethyl-2-(2-ethylperoxyethyl)tetrazole is CCOOCCn1nnc(CC)n1.
What is the InChIKey of 5-ethyl-2-(2-ethylperoxyethyl)tetrazole?
The InChIKey is MLCLJFKIBFYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-3-7-8-10-11(9-7)5-6-13-12-4-2/h3-6H2,1-2H3.
What are the key properties of 5-ethyl-2-(2-ethylperoxyethyl)tetrazole?
5-ethyl-2-(2-ethylperoxyethyl)tetrazole has a molecular weight of 186.21 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-ethylperoxyethyl)tetrazole is sourced from PubChem (CID 88580120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).