5,5-dipentyltetrazole

C11H22N4 — CID 69383760

IUPAC5,5-dipentyltetrazole
SMILESCCCCCC1(CCCCC)N=NN=N1
InChIInChI=1S/C11H22N4/c1-3-5-7-9-11(10-8-6-4-2)12-14-15-13-11/h3-10H2,1-2H3
InChIKeyOWUDFBABATUUHX-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.68
Rot. Bonds8

About 5,5-dipentyltetrazole

5,5-dipentyltetrazole (PubChem CID 69383760) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5,5-dipentyltetrazole.

Molecular Properties

Compound Name5,5-dipentyltetrazole
PubChem CID69383760
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5,5-dipentyltetrazole
SMILESCCCCCC1(CCCCC)N=NN=N1
InChIInChI=1S/C11H22N4/c1-3-5-7-9-11(10-8-6-4-2)12-14-15-13-11/h3-10H2,1-2H3
InChIKeyOWUDFBABATUUHX-UHFFFAOYSA-N
XLogP4.68
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dipentyltetrazole?
The IUPAC name of 5,5-dipentyltetrazole (CID 69383760) is 5,5-dipentyltetrazole.
What is the SMILES notation for 5,5-dipentyltetrazole?
The canonical SMILES for 5,5-dipentyltetrazole is CCCCCC1(CCCCC)N=NN=N1.
What is the InChIKey of 5,5-dipentyltetrazole?
The InChIKey is OWUDFBABATUUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-7-9-11(10-8-6-4-2)12-14-15-13-11/h3-10H2,1-2H3.
What are the key properties of 5,5-dipentyltetrazole?
5,5-dipentyltetrazole has a molecular weight of 210.32 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipentyltetrazole is sourced from PubChem (CID 69383760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).