5-pentadecyl-5H-tetrazole

C16H32N4 — CID 174557149

IUPAC5-pentadecyl-5H-tetrazole
SMILESCCCCCCCCCCCCCCCC1N=NN=N1
InChIInChI=1S/C16H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-16/h16H,2-15H2,1H3
InChIKeyHMAXDPRINBPNLG-UHFFFAOYSA-N
MW280.46 g/mol
LogP6.63
Rot. Bonds14

About 5-pentadecyl-5H-tetrazole

5-pentadecyl-5H-tetrazole (PubChem CID 174557149) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-pentadecyl-5H-tetrazole.

Molecular Properties

Compound Name5-pentadecyl-5H-tetrazole
PubChem CID174557149
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name5-pentadecyl-5H-tetrazole
SMILESCCCCCCCCCCCCCCCC1N=NN=N1
InChIInChI=1S/C16H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-16/h16H,2-15H2,1H3
InChIKeyHMAXDPRINBPNLG-UHFFFAOYSA-N
XLogP6.63
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-pentadecyl-5H-tetrazole with MolForge

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

Launch Full Analysis

Related Compounds

dodecane;methane
CID 22277750
bis(hexadecane);methane
CID 161318895
bis(hexacosane);methane
CID 157430725
azane;docosane;methane
CID 175254385
methane;octane;dihydrochloride
CID 174397937
butane;pentakis(heptane);methane
CID 160660769
azane;methane;undecane
CID 159407970
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
ethane;methane;tridecane
CID 159295261
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of 5-pentadecyl-5H-tetrazole?
The IUPAC name of 5-pentadecyl-5H-tetrazole (CID 174557149) is 5-pentadecyl-5H-tetrazole.
What is the SMILES notation for 5-pentadecyl-5H-tetrazole?
The canonical SMILES for 5-pentadecyl-5H-tetrazole is CCCCCCCCCCCCCCCC1N=NN=N1.
What is the InChIKey of 5-pentadecyl-5H-tetrazole?
The InChIKey is HMAXDPRINBPNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-16/h16H,2-15H2,1H3.
What are the key properties of 5-pentadecyl-5H-tetrazole?
5-pentadecyl-5H-tetrazole has a molecular weight of 280.46 g/mol, XLogP of 6.63, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentadecyl-5H-tetrazole is sourced from PubChem (CID 174557149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).