1-tridecyl-1,2,4-triazole

C15H29N3 — CID 23344167

IUPAC1-tridecyl-1,2,4-triazole
SMILESCCCCCCCCCCCCCn1cncn1
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-15-16-14-17-18/h14-15H,2-13H2,1H3
InChIKeyLLOILTSEHXQZLS-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.59
Rot. Bonds12

About 1-tridecyl-1,2,4-triazole

1-tridecyl-1,2,4-triazole (PubChem CID 23344167) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-tridecyl-1,2,4-triazole.

Molecular Properties

Compound Name1-tridecyl-1,2,4-triazole
PubChem CID23344167
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-tridecyl-1,2,4-triazole
SMILESCCCCCCCCCCCCCn1cncn1
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-15-16-14-17-18/h14-15H,2-13H2,1H3
InChIKeyLLOILTSEHXQZLS-UHFFFAOYSA-N
XLogP4.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.59
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-pentyl-1H-1,2,4-triazole
CID 14267422
4-Methyl-1-[12-(4-methyl-1,2,4-triazol-4-ium-1-yl)dodecyl]-1,2,4-triazol-4-ium
CID 46175172
1-[12-(1,2,4-Triazol-1-yl)dodecyl]-1,2,4-triazole
CID 57396677
1-[12-(1,2,4-Triazol-1-yl)dodecyl]-1,2,4-triazole;dihydrochloride
CID 67440999
1-Butyl-1,2,4-triazole
CID 22460
4-Decyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium
CID 156599995
4-Decyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium
CID 156600023
4-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium
CID 156600025
4-Heptyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium
CID 156600037
4-Decyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium
CID 156600041

Frequently Asked Questions

What is the IUPAC name of 1-tridecyl-1,2,4-triazole?
The IUPAC name of 1-tridecyl-1,2,4-triazole (CID 23344167) is 1-tridecyl-1,2,4-triazole.
What is the SMILES notation for 1-tridecyl-1,2,4-triazole?
The canonical SMILES for 1-tridecyl-1,2,4-triazole is CCCCCCCCCCCCCn1cncn1.
What is the InChIKey of 1-tridecyl-1,2,4-triazole?
The InChIKey is LLOILTSEHXQZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-15-16-14-17-18/h14-15H,2-13H2,1H3.
What are the key properties of 1-tridecyl-1,2,4-triazole?
1-tridecyl-1,2,4-triazole has a molecular weight of 251.42 g/mol, XLogP of 4.59, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecyl-1,2,4-triazole is sourced from PubChem (CID 23344167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).