4-tetradecyl-1,2,4-triazole

C16H31N3 — CID 102367700

IUPAC4-tetradecyl-1,2,4-triazole
SMILESCCCCCCCCCCCCCCn1cnnc1
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-18-16-19/h15-16H,2-14H2,1H3
InChIKeyWPXJERLRNZYZNY-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.98
Rot. Bonds13

About 4-tetradecyl-1,2,4-triazole

4-tetradecyl-1,2,4-triazole (PubChem CID 102367700) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-tetradecyl-1,2,4-triazole.

Molecular Properties

Compound Name4-tetradecyl-1,2,4-triazole
PubChem CID102367700
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-tetradecyl-1,2,4-triazole
SMILESCCCCCCCCCCCCCCn1cnnc1
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-18-16-19/h15-16H,2-14H2,1H3
InChIKeyWPXJERLRNZYZNY-UHFFFAOYSA-N
XLogP4.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.98
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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Frequently Asked Questions

What is the IUPAC name of 4-tetradecyl-1,2,4-triazole?
The IUPAC name of 4-tetradecyl-1,2,4-triazole (CID 102367700) is 4-tetradecyl-1,2,4-triazole.
What is the SMILES notation for 4-tetradecyl-1,2,4-triazole?
The canonical SMILES for 4-tetradecyl-1,2,4-triazole is CCCCCCCCCCCCCCn1cnnc1.
What is the InChIKey of 4-tetradecyl-1,2,4-triazole?
The InChIKey is WPXJERLRNZYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-18-16-19/h15-16H,2-14H2,1H3.
What are the key properties of 4-tetradecyl-1,2,4-triazole?
4-tetradecyl-1,2,4-triazole has a molecular weight of 265.44 g/mol, XLogP of 4.98, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetradecyl-1,2,4-triazole is sourced from PubChem (CID 102367700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).