2-undecyl-1,2,4-triazol-3-amine

C13H26N4 — CID 10610009

IUPAC2-undecyl-1,2,4-triazol-3-amine
SMILESCCCCCCCCCCCn1ncnc1N
InChIInChI=1S/C13H26N4/c1-2-3-4-5-6-7-8-9-10-11-17-13(14)15-12-16-17/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyLLXHXTUPHTWZIF-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.39
Rot. Bonds10

About 2-undecyl-1,2,4-triazol-3-amine

2-undecyl-1,2,4-triazol-3-amine (PubChem CID 10610009) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-undecyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-undecyl-1,2,4-triazol-3-amine
PubChem CID10610009
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-undecyl-1,2,4-triazol-3-amine
SMILESCCCCCCCCCCCn1ncnc1N
InChIInChI=1S/C13H26N4/c1-2-3-4-5-6-7-8-9-10-11-17-13(14)15-12-16-17/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyLLXHXTUPHTWZIF-UHFFFAOYSA-N
XLogP3.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-undecyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-undecyl-1,2,4-triazol-3-amine (CID 10610009) is 2-undecyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-undecyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-undecyl-1,2,4-triazol-3-amine is CCCCCCCCCCCn1ncnc1N.
What is the InChIKey of 2-undecyl-1,2,4-triazol-3-amine?
The InChIKey is LLXHXTUPHTWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-2-3-4-5-6-7-8-9-10-11-17-13(14)15-12-16-17/h12H,2-11H2,1H3,(H2,14,15,16).
What are the key properties of 2-undecyl-1,2,4-triazol-3-amine?
2-undecyl-1,2,4-triazol-3-amine has a molecular weight of 238.38 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 10610009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).