5-hexyl-5-propyltetrazole

C10H20N4 — CID 69382122

IUPAC5-hexyl-5-propyltetrazole
SMILESCCCCCCC1(CCC)N=NN=N1
InChIInChI=1S/C10H20N4/c1-3-5-6-7-9-10(8-4-2)11-13-14-12-10/h3-9H2,1-2H3
InChIKeyIHGVNKSZPTZWEH-UHFFFAOYSA-N
MW196.30 g/mol
LogP4.29
Rot. Bonds7

About 5-hexyl-5-propyltetrazole

5-hexyl-5-propyltetrazole (PubChem CID 69382122) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-hexyl-5-propyltetrazole.

Molecular Properties

Compound Name5-hexyl-5-propyltetrazole
PubChem CID69382122
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-hexyl-5-propyltetrazole
SMILESCCCCCCC1(CCC)N=NN=N1
InChIInChI=1S/C10H20N4/c1-3-5-6-7-9-10(8-4-2)11-13-14-12-10/h3-9H2,1-2H3
InChIKeyIHGVNKSZPTZWEH-UHFFFAOYSA-N
XLogP4.29
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 54.29
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-propyltetrazole?
The IUPAC name of 5-hexyl-5-propyltetrazole (CID 69382122) is 5-hexyl-5-propyltetrazole.
What is the SMILES notation for 5-hexyl-5-propyltetrazole?
The canonical SMILES for 5-hexyl-5-propyltetrazole is CCCCCCC1(CCC)N=NN=N1.
What is the InChIKey of 5-hexyl-5-propyltetrazole?
The InChIKey is IHGVNKSZPTZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-5-6-7-9-10(8-4-2)11-13-14-12-10/h3-9H2,1-2H3.
What are the key properties of 5-hexyl-5-propyltetrazole?
5-hexyl-5-propyltetrazole has a molecular weight of 196.30 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-5-propyltetrazole is sourced from PubChem (CID 69382122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).