5-butyl-5-ethyltetrazole

C7H14N4 — CID 68800278

IUPAC5-butyl-5-ethyltetrazole
SMILESCCCCC1(CC)N=NN=N1
InChIInChI=1S/C7H14N4/c1-3-5-6-7(4-2)8-10-11-9-7/h3-6H2,1-2H3
InChIKeyRZCJGNVFLAOOAK-UHFFFAOYSA-N
MW154.22 g/mol
LogP3.12
Rot. Bonds4

About 5-butyl-5-ethyltetrazole

5-butyl-5-ethyltetrazole (PubChem CID 68800278) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-butyl-5-ethyltetrazole.

Molecular Properties

Compound Name5-butyl-5-ethyltetrazole
PubChem CID68800278
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-butyl-5-ethyltetrazole
SMILESCCCCC1(CC)N=NN=N1
InChIInChI=1S/C7H14N4/c1-3-5-6-7(4-2)8-10-11-9-7/h3-6H2,1-2H3
InChIKeyRZCJGNVFLAOOAK-UHFFFAOYSA-N
XLogP3.12
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethyltetrazole?
The IUPAC name of 5-butyl-5-ethyltetrazole (CID 68800278) is 5-butyl-5-ethyltetrazole.
What is the SMILES notation for 5-butyl-5-ethyltetrazole?
The canonical SMILES for 5-butyl-5-ethyltetrazole is CCCCC1(CC)N=NN=N1.
What is the InChIKey of 5-butyl-5-ethyltetrazole?
The InChIKey is RZCJGNVFLAOOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-5-6-7(4-2)8-10-11-9-7/h3-6H2,1-2H3.
What are the key properties of 5-butyl-5-ethyltetrazole?
5-butyl-5-ethyltetrazole has a molecular weight of 154.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-ethyltetrazole is sourced from PubChem (CID 68800278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).