5-pentyl-5-propyltetrazole

C9H18N4 — CID 69383182

IUPAC5-pentyl-5-propyltetrazole
SMILESCCCCCC1(CCC)N=NN=N1
InChIInChI=1S/C9H18N4/c1-3-5-6-8-9(7-4-2)10-12-13-11-9/h3-8H2,1-2H3
InChIKeyUKILQJNLCJFVRN-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.90
Rot. Bonds6

About 5-pentyl-5-propyltetrazole

5-pentyl-5-propyltetrazole (PubChem CID 69383182) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-pentyl-5-propyltetrazole.

Molecular Properties

Compound Name5-pentyl-5-propyltetrazole
PubChem CID69383182
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-pentyl-5-propyltetrazole
SMILESCCCCCC1(CCC)N=NN=N1
InChIInChI=1S/C9H18N4/c1-3-5-6-8-9(7-4-2)10-12-13-11-9/h3-8H2,1-2H3
InChIKeyUKILQJNLCJFVRN-UHFFFAOYSA-N
XLogP3.90
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-pentyl-5-propyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-5-propyltetrazole?
The IUPAC name of 5-pentyl-5-propyltetrazole (CID 69383182) is 5-pentyl-5-propyltetrazole.
What is the SMILES notation for 5-pentyl-5-propyltetrazole?
The canonical SMILES for 5-pentyl-5-propyltetrazole is CCCCCC1(CCC)N=NN=N1.
What is the InChIKey of 5-pentyl-5-propyltetrazole?
The InChIKey is UKILQJNLCJFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-5-6-8-9(7-4-2)10-12-13-11-9/h3-8H2,1-2H3.
What are the key properties of 5-pentyl-5-propyltetrazole?
5-pentyl-5-propyltetrazole has a molecular weight of 182.27 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-5-propyltetrazole is sourced from PubChem (CID 69383182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).