5-hexyl-5-pentyltetrazole

C12H24N4 — CID 69381388

IUPAC5-hexyl-5-pentyltetrazole
SMILESCCCCCCC1(CCCCC)N=NN=N1
InChIInChI=1S/C12H24N4/c1-3-5-7-9-11-12(10-8-6-4-2)13-15-16-14-12/h3-11H2,1-2H3
InChIKeySPDGVPRGZUKSDF-UHFFFAOYSA-N
MW224.35 g/mol
LogP5.07
Rot. Bonds9

About 5-hexyl-5-pentyltetrazole

5-hexyl-5-pentyltetrazole (PubChem CID 69381388) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-hexyl-5-pentyltetrazole.

Molecular Properties

Compound Name5-hexyl-5-pentyltetrazole
PubChem CID69381388
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name5-hexyl-5-pentyltetrazole
SMILESCCCCCCC1(CCCCC)N=NN=N1
InChIInChI=1S/C12H24N4/c1-3-5-7-9-11-12(10-8-6-4-2)13-15-16-14-12/h3-11H2,1-2H3
InChIKeySPDGVPRGZUKSDF-UHFFFAOYSA-N
XLogP5.07
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.07
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-hexyl-5-pentyltetrazole?
The IUPAC name of 5-hexyl-5-pentyltetrazole (CID 69381388) is 5-hexyl-5-pentyltetrazole.
What is the SMILES notation for 5-hexyl-5-pentyltetrazole?
The canonical SMILES for 5-hexyl-5-pentyltetrazole is CCCCCCC1(CCCCC)N=NN=N1.
What is the InChIKey of 5-hexyl-5-pentyltetrazole?
The InChIKey is SPDGVPRGZUKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-5-7-9-11-12(10-8-6-4-2)13-15-16-14-12/h3-11H2,1-2H3.
What are the key properties of 5-hexyl-5-pentyltetrazole?
5-hexyl-5-pentyltetrazole has a molecular weight of 224.35 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-5-pentyltetrazole is sourced from PubChem (CID 69381388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).