4-(7-methyltetradecan-7-yl)-1,2,4-triazole

C17H33N3 — CID 167267822

IUPAC4-(7-methyltetradecan-7-yl)-1,2,4-triazole
SMILESCCCCCCCC(C)(CCCCCC)n1cnnc1
InChIInChI=1S/C17H33N3/c1-4-6-8-10-12-14-17(3,13-11-9-7-5-2)20-15-18-19-16-20/h15-16H,4-14H2,1-3H3
InChIKeyHXVXABBVEMGBHH-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.32
Rot. Bonds12

About 4-(7-methyltetradecan-7-yl)-1,2,4-triazole

4-(7-methyltetradecan-7-yl)-1,2,4-triazole (PubChem CID 167267822) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-(7-methyltetradecan-7-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(7-methyltetradecan-7-yl)-1,2,4-triazole
PubChem CID167267822
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name4-(7-methyltetradecan-7-yl)-1,2,4-triazole
SMILESCCCCCCCC(C)(CCCCCC)n1cnnc1
InChIInChI=1S/C17H33N3/c1-4-6-8-10-12-14-17(3,13-11-9-7-5-2)20-15-18-19-16-20/h15-16H,4-14H2,1-3H3
InChIKeyHXVXABBVEMGBHH-UHFFFAOYSA-N
XLogP5.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyloctan-2-yl)-1,2,4-triazole
CID 146620696
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
1-(2-methylundecan-2-yl)imidazole
CID 151900805
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
9-bromo-9-methylhenicosane
CID 155906452
4-fluoro-5-methoxy-2-(6-methyltridecan-6-yl)triazole
CID 146378526
5-chloro-3-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377981
10-methyltricosane-10-diazonium
CID 151580094
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
2-imidazol-1-yltridecan-2-ol
CID 87316839
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyltetradecan-7-yl)-1,2,4-triazole?
The IUPAC name of 4-(7-methyltetradecan-7-yl)-1,2,4-triazole (CID 167267822) is 4-(7-methyltetradecan-7-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(7-methyltetradecan-7-yl)-1,2,4-triazole?
The canonical SMILES for 4-(7-methyltetradecan-7-yl)-1,2,4-triazole is CCCCCCCC(C)(CCCCCC)n1cnnc1.
What is the InChIKey of 4-(7-methyltetradecan-7-yl)-1,2,4-triazole?
The InChIKey is HXVXABBVEMGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-6-8-10-12-14-17(3,13-11-9-7-5-2)20-15-18-19-16-20/h15-16H,4-14H2,1-3H3.
What are the key properties of 4-(7-methyltetradecan-7-yl)-1,2,4-triazole?
4-(7-methyltetradecan-7-yl)-1,2,4-triazole has a molecular weight of 279.47 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyltetradecan-7-yl)-1,2,4-triazole is sourced from PubChem (CID 167267822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).