5,5-dihexyltetrazole

C13H26N4 — CID 69386804

IUPAC5,5-dihexyltetrazole
SMILESCCCCCCC1(CCCCCC)N=NN=N1
InChIInChI=1S/C13H26N4/c1-3-5-7-9-11-13(14-16-17-15-13)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyNPXWVOQRUNIINE-UHFFFAOYSA-N
MW238.38 g/mol
LogP5.46
Rot. Bonds10

About 5,5-dihexyltetrazole

5,5-dihexyltetrazole (PubChem CID 69386804) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5,5-dihexyltetrazole.

Molecular Properties

Compound Name5,5-dihexyltetrazole
PubChem CID69386804
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5,5-dihexyltetrazole
SMILESCCCCCCC1(CCCCCC)N=NN=N1
InChIInChI=1S/C13H26N4/c1-3-5-7-9-11-13(14-16-17-15-13)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyNPXWVOQRUNIINE-UHFFFAOYSA-N
XLogP5.46
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.38
LogP ≤ 55.46
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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Related Compounds

5-butyl-5-ethyltetrazole
CID 68800278
5-methyl-5-pentyltetrazole
CID 69382844
4-(3-nonyldiazirin-3-yl)butanoic acid
CID 171522865
5-pentyltetrazole-5-carbonitrile
CID 69382845
butane;pentakis(heptane);methane
CID 160660769
heptadecane;hydrazine
CID 174880698
butane;ethane;heptane
CID 143121250
hydrazine;pentadecane
CID 174880620
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of 5,5-dihexyltetrazole?
The IUPAC name of 5,5-dihexyltetrazole (CID 69386804) is 5,5-dihexyltetrazole.
What is the SMILES notation for 5,5-dihexyltetrazole?
The canonical SMILES for 5,5-dihexyltetrazole is CCCCCCC1(CCCCCC)N=NN=N1.
What is the InChIKey of 5,5-dihexyltetrazole?
The InChIKey is NPXWVOQRUNIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-3-5-7-9-11-13(14-16-17-15-13)12-10-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 5,5-dihexyltetrazole?
5,5-dihexyltetrazole has a molecular weight of 238.38 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihexyltetrazole is sourced from PubChem (CID 69386804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).