4-[19-(oxiran-2-yl)nonadecoxy]triazine

C24H43N3O2 — CID 150596914

IUPAC4-[19-(oxiran-2-yl)nonadecoxy]triazine
SMILESc1cc(OCCCCCCCCCCCCCCCCCCCC2CO2)nnn1
InChIInChI=1S/C24H43N3O2/c1(2-4-6-8-10-12-14-16-18-23-22-29-23)3-5-7-9-11-13-15-17-21-28-24-19-20-25-27-26-24/h19-20,23H,1-18,21-22H2
InChIKeyIRAQCYDHPLKPRG-UHFFFAOYSA-N
MW405.63 g/mol
LogP6.67
Rot. Bonds21

About 4-[19-(oxiran-2-yl)nonadecoxy]triazine

4-[19-(oxiran-2-yl)nonadecoxy]triazine (PubChem CID 150596914) has the molecular formula C24H43N3O2 and a molecular weight of 405.63 g/mol. Its IUPAC name is 4-[19-(oxiran-2-yl)nonadecoxy]triazine.

Molecular Properties

Compound Name4-[19-(oxiran-2-yl)nonadecoxy]triazine
PubChem CID150596914
Molecular FormulaC24H43N3O2
Molecular Weight405.63 g/mol
Exact Mass405.34
IUPAC Name4-[19-(oxiran-2-yl)nonadecoxy]triazine
SMILESc1cc(OCCCCCCCCCCCCCCCCCCCC2CO2)nnn1
InChIInChI=1S/C24H43N3O2/c1(2-4-6-8-10-12-14-16-18-23-22-29-23)3-5-7-9-11-13-15-17-21-28-24-19-20-25-27-26-24/h19-20,23H,1-18,21-22H2
InChIKeyIRAQCYDHPLKPRG-UHFFFAOYSA-N
XLogP6.67
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-[19-(oxiran-2-yl)nonadecoxy]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[19-(oxiran-2-yl)nonadecoxy]triazine?
The IUPAC name of 4-[19-(oxiran-2-yl)nonadecoxy]triazine (CID 150596914) is 4-[19-(oxiran-2-yl)nonadecoxy]triazine.
What is the SMILES notation for 4-[19-(oxiran-2-yl)nonadecoxy]triazine?
The canonical SMILES for 4-[19-(oxiran-2-yl)nonadecoxy]triazine is c1cc(OCCCCCCCCCCCCCCCCCCCC2CO2)nnn1.
What is the InChIKey of 4-[19-(oxiran-2-yl)nonadecoxy]triazine?
The InChIKey is IRAQCYDHPLKPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O2/c1(2-4-6-8-10-12-14-16-18-23-22-29-23)3-5-7-9-11-13-15-17-21-28-24-19-20-25-27-26-24/h19-20,23H,1-18,21-22H2.
What are the key properties of 4-[19-(oxiran-2-yl)nonadecoxy]triazine?
4-[19-(oxiran-2-yl)nonadecoxy]triazine has a molecular weight of 405.63 g/mol, XLogP of 6.67, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[19-(oxiran-2-yl)nonadecoxy]triazine is sourced from PubChem (CID 150596914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).