5-tert-butyl-2-(2-methoxyethyl)tetrazole

C8H16N4O — CID 89375657

IUPAC5-tert-butyl-2-(2-methoxyethyl)tetrazole
SMILESCOCCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C8H16N4O/c1-8(2,3)7-9-11-12(10-7)5-6-13-4/h5-6H2,1-4H3
InChIKeySPXBOMVVSSPBOJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.62
Rot. Bonds3

About 5-tert-butyl-2-(2-methoxyethyl)tetrazole

5-tert-butyl-2-(2-methoxyethyl)tetrazole (PubChem CID 89375657) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methoxyethyl)tetrazole.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methoxyethyl)tetrazole
PubChem CID89375657
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name5-tert-butyl-2-(2-methoxyethyl)tetrazole
SMILESCOCCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C8H16N4O/c1-8(2,3)7-9-11-12(10-7)5-6-13-4/h5-6H2,1-4H3
InChIKeySPXBOMVVSSPBOJ-UHFFFAOYSA-N
XLogP0.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methoxyethyl)tetrazole?
The IUPAC name of 5-tert-butyl-2-(2-methoxyethyl)tetrazole (CID 89375657) is 5-tert-butyl-2-(2-methoxyethyl)tetrazole.
What is the SMILES notation for 5-tert-butyl-2-(2-methoxyethyl)tetrazole?
The canonical SMILES for 5-tert-butyl-2-(2-methoxyethyl)tetrazole is COCCn1nnc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-2-(2-methoxyethyl)tetrazole?
The InChIKey is SPXBOMVVSSPBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(2,3)7-9-11-12(10-7)5-6-13-4/h5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(2-methoxyethyl)tetrazole?
5-tert-butyl-2-(2-methoxyethyl)tetrazole has a molecular weight of 184.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methoxyethyl)tetrazole is sourced from PubChem (CID 89375657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).