5-pentadecyl-1H-1,2,4-triazole

C17H33N3 — CID 57044258

IUPAC5-pentadecyl-1H-1,2,4-triazole
SMILESCCCCCCCCCCCCCCCc1ncn[nH]1
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18-16-19-20-17/h16H,2-15H2,1H3,(H,18,19,20)
InChIKeyHCAPIDNWGZJAJV-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.44
Rot. Bonds14

About 5-pentadecyl-1H-1,2,4-triazole

5-pentadecyl-1H-1,2,4-triazole (PubChem CID 57044258) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-pentadecyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-pentadecyl-1H-1,2,4-triazole
PubChem CID57044258
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-pentadecyl-1H-1,2,4-triazole
SMILESCCCCCCCCCCCCCCCc1ncn[nH]1
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18-16-19-20-17/h16H,2-15H2,1H3,(H,18,19,20)
InChIKeyHCAPIDNWGZJAJV-UHFFFAOYSA-N
XLogP5.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-pentadecyl-1H-1,2,4-triazole?
The IUPAC name of 5-pentadecyl-1H-1,2,4-triazole (CID 57044258) is 5-pentadecyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-pentadecyl-1H-1,2,4-triazole?
The canonical SMILES for 5-pentadecyl-1H-1,2,4-triazole is CCCCCCCCCCCCCCCc1ncn[nH]1.
What is the InChIKey of 5-pentadecyl-1H-1,2,4-triazole?
The InChIKey is HCAPIDNWGZJAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18-16-19-20-17/h16H,2-15H2,1H3,(H,18,19,20).
What are the key properties of 5-pentadecyl-1H-1,2,4-triazole?
5-pentadecyl-1H-1,2,4-triazole has a molecular weight of 279.47 g/mol, XLogP of 5.44, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentadecyl-1H-1,2,4-triazole is sourced from PubChem (CID 57044258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).