5-tert-butyl-2-ethyltetrazole

C7H14N4 — CID 23395916

IUPAC5-tert-butyl-2-ethyltetrazole
SMILESCCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C7H14N4/c1-5-11-9-6(8-10-11)7(2,3)4/h5H2,1-4H3
InChIKeyLNMSOECGKGXPIA-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.99
Rot. Bonds1

About 5-tert-butyl-2-ethyltetrazole

5-tert-butyl-2-ethyltetrazole (PubChem CID 23395916) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyltetrazole.

Molecular Properties

Compound Name5-tert-butyl-2-ethyltetrazole
PubChem CID23395916
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-tert-butyl-2-ethyltetrazole
SMILESCCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C7H14N4/c1-5-11-9-6(8-10-11)7(2,3)4/h5H2,1-4H3
InChIKeyLNMSOECGKGXPIA-UHFFFAOYSA-N
XLogP0.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyltetrazole?
The IUPAC name of 5-tert-butyl-2-ethyltetrazole (CID 23395916) is 5-tert-butyl-2-ethyltetrazole.
What is the SMILES notation for 5-tert-butyl-2-ethyltetrazole?
The canonical SMILES for 5-tert-butyl-2-ethyltetrazole is CCn1nnc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-2-ethyltetrazole?
The InChIKey is LNMSOECGKGXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5-11-9-6(8-10-11)7(2,3)4/h5H2,1-4H3.
What are the key properties of 5-tert-butyl-2-ethyltetrazole?
5-tert-butyl-2-ethyltetrazole has a molecular weight of 154.22 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyltetrazole is sourced from PubChem (CID 23395916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).