3,5-dipentyl-1H-1,2,4-triazole

C12H23N3 — CID 19904182

IUPAC3,5-dipentyl-1H-1,2,4-triazole
SMILESCCCCCc1n[nH]c(CCCCC)n1
InChIInChI=1S/C12H23N3/c1-3-5-7-9-11-13-12(15-14-11)10-8-6-4-2/h3-10H2,1-2H3,(H,13,14,15)
InChIKeyUAQGAGMEOFACHT-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.27
Rot. Bonds8

About 3,5-dipentyl-1H-1,2,4-triazole

3,5-dipentyl-1H-1,2,4-triazole (PubChem CID 19904182) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3,5-dipentyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dipentyl-1H-1,2,4-triazole
PubChem CID19904182
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3,5-dipentyl-1H-1,2,4-triazole
SMILESCCCCCc1n[nH]c(CCCCC)n1
InChIInChI=1S/C12H23N3/c1-3-5-7-9-11-13-12(15-14-11)10-8-6-4-2/h3-10H2,1-2H3,(H,13,14,15)
InChIKeyUAQGAGMEOFACHT-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.27
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 3,5-dipentyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-dipentyl-1H-1,2,4-triazole (CID 19904182) is 3,5-dipentyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-dipentyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-dipentyl-1H-1,2,4-triazole is CCCCCc1n[nH]c(CCCCC)n1.
What is the InChIKey of 3,5-dipentyl-1H-1,2,4-triazole?
The InChIKey is UAQGAGMEOFACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-7-9-11-13-12(15-14-11)10-8-6-4-2/h3-10H2,1-2H3,(H,13,14,15).
What are the key properties of 3,5-dipentyl-1H-1,2,4-triazole?
3,5-dipentyl-1H-1,2,4-triazole has a molecular weight of 209.34 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipentyl-1H-1,2,4-triazole is sourced from PubChem (CID 19904182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).