5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole

C15H28FN3 — CID 146378046

IUPAC5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole
SMILESCCCCCCCC(C)(CCCC)n1ncnc1F
InChIInChI=1S/C15H28FN3/c1-4-6-8-9-10-12-15(3,11-7-5-2)19-14(16)17-13-18-19/h13H,4-12H2,1-3H3
InChIKeyBHUQPZQCNCAVLI-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.68
Rot. Bonds10

About 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole

5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole (PubChem CID 146378046) has the molecular formula C15H28FN3 and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole
PubChem CID146378046
Molecular FormulaC15H28FN3
Molecular Weight269.41 g/mol
Exact Mass269.23
IUPAC Name5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole
SMILESCCCCCCCC(C)(CCCC)n1ncnc1F
InChIInChI=1S/C15H28FN3/c1-4-6-8-9-10-12-15(3,11-7-5-2)19-14(16)17-13-18-19/h13H,4-12H2,1-3H3
InChIKeyBHUQPZQCNCAVLI-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.68
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

1-Dodecyl-1H-1,2,4-triazole
CID 13020081
1-Octyl-1,2,4-triazole
CID 4420134
1-Decyl-1,2,4-triazole
CID 21573148
1-(1,1,3-Trifluoro-5,5-dimethyl-3-propan-2-ylheptan-2-yl)-1,2,4-triazole
CID 71141498
1-[5-Methyl-3-(trifluoromethyl)hexyl]-1,2,4-triazole
CID 168111320
1-Decyl-4-(2-fluoroethyl)-1,2,4-triazol-4-ium
CID 10918529
5,9-Diethyl-7-(1,2,4-triazol-1-yl)tridecan-7-amine
CID 17973463
1-(2-Hexyldecyl)-1,2,4-triazole
CID 19788762
1-Nonyl-1,2,4-triazole
CID 23344126
1-Undecyl-1H-1,2,4-triazole
CID 23344127
1-Tridecyl-1,2,4-triazole
CID 23344167
1-(4-Methylhexyl)-1,2,4-triazole
CID 57667505

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole?
The IUPAC name of 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole (CID 146378046) is 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole.
What is the SMILES notation for 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole?
The canonical SMILES for 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole is CCCCCCCC(C)(CCCC)n1ncnc1F.
What is the InChIKey of 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole?
The InChIKey is BHUQPZQCNCAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3/c1-4-6-8-9-10-12-15(3,11-7-5-2)19-14(16)17-13-18-19/h13H,4-12H2,1-3H3.
What are the key properties of 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole?
5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole has a molecular weight of 269.41 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole is sourced from PubChem (CID 146378046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).