1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole

C102H204N24 — CID 161142516

IUPAC1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole
SMILESCCCCCCCCCCCCCC(C)(C)n1cnnn1.CCCCCCCCCCCCCC(C)(CC)n1cnnn1.CCCCCCCCCCCCCC(C)n1cnnn1.CCCCCCCCCCCCCC(CC)(CC)n1cnnn1.CCCCCCCCCCCCCC(CC)n1cnnn1.CCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C19H38N4.C18H36N4.2C17H34N4.C16H32N4.C15H30N4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(5-2,6-3)23-18-20-21-22-23;1-4-6-7-8-9-10-11-12-13-14-15-16-18(3,5-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,3)21-16-18-19-20-21;1-3-5-6-7-8-9-10-11-12-13-14-15-17(4-2)21-16-18-19-20-21;1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-15-17-18-19-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17-15/h18H,4-17H2,1-3H3;17H,4-16H2,1-3H3;16H,4-15H2,1-3H3;16-17H,3-15H2,1-2H3;15-16H,3-14H2,1-2H3;2-14H2,1H3,(H,16,17,18,19)
InChIKeyUNQCKPZEPFGESL-UHFFFAOYSA-N
MW1766.92 g/mol
LogP31.20
Rot. Bonds82

About 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole

1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole (PubChem CID 161142516) has the molecular formula C102H204N24 and a molecular weight of 1766.92 g/mol. Its IUPAC name is 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole.

Molecular Properties

Compound Name1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole
PubChem CID161142516
Molecular FormulaC102H204N24
Molecular Weight1766.92 g/mol
Exact Mass1765.67
IUPAC Name1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole
SMILESCCCCCCCCCCCCCC(C)(C)n1cnnn1.CCCCCCCCCCCCCC(C)(CC)n1cnnn1.CCCCCCCCCCCCCC(C)n1cnnn1.CCCCCCCCCCCCCC(CC)(CC)n1cnnn1.CCCCCCCCCCCCCC(CC)n1cnnn1.CCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C19H38N4.C18H36N4.2C17H34N4.C16H32N4.C15H30N4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(5-2,6-3)23-18-20-21-22-23;1-4-6-7-8-9-10-11-12-13-14-15-16-18(3,5-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,3)21-16-18-19-20-21;1-3-5-6-7-8-9-10-11-12-13-14-15-17(4-2)21-16-18-19-20-21;1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-15-17-18-19-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17-15/h18H,4-17H2,1-3H3;17H,4-16H2,1-3H3;16H,4-15H2,1-3H3;16-17H,3-15H2,1-2H3;15-16H,3-14H2,1-2H3;2-14H2,1H3,(H,16,17,18,19)
InChIKeyUNQCKPZEPFGESL-UHFFFAOYSA-N
XLogP31.20
TPSA272.46 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds82
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001766.92
LogP ≤ 531.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole 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 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole?
The IUPAC name of 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole (CID 161142516) is 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole.
What is the SMILES notation for 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole?
The canonical SMILES for 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole is CCCCCCCCCCCCCC(C)(C)n1cnnn1.CCCCCCCCCCCCCC(C)(CC)n1cnnn1.CCCCCCCCCCCCCC(C)n1cnnn1.CCCCCCCCCCCCCC(CC)(CC)n1cnnn1.CCCCCCCCCCCCCC(CC)n1cnnn1.CCCCCCCCCCCCCCc1nn[nH]n1.
What is the InChIKey of 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole?
The InChIKey is UNQCKPZEPFGESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4.C18H36N4.2C17H34N4.C16H32N4.C15H30N4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(5-2,6-3)23-18-20-21-22-23;1-4-6-7-8-9-10-11-12-13-14-15-16-18(3,5-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,3)21-16-18-19-20-21;1-3-5-6-7-8-9-10-11-12-13-14-15-17(4-2)21-16-18-19-20-21;1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-15-17-18-19-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17-15/h18H,4-17H2,1-3H3;17H,4-16H2,1-3H3;16H,4-15H2,1-3H3;16-17H,3-15H2,1-2H3;15-16H,3-14H2,1-2H3;2-14H2,1H3,(H,16,17,18,19).
What are the key properties of 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole?
1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole has a molecular weight of 1766.92 g/mol, XLogP of 31.20, 82 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole is sourced from PubChem (CID 161142516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).