1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one

C24H25F3N4O6 — CID 3444215

IUPAC1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
SMILESC=CCOc1nc(OCC=C)nc(OCC2CN(C(=O)C=Cc3cccc(OC(F)(F)F)c3)CCO2)n1
InChIInChI=1S/C24H25F3N4O6/c1-3-11-34-21-28-22(35-12-4-2)30-23(29-21)36-16-19-15-31(10-13-33-19)20(32)9-8-17-6-5-7-18(14-17)37-24(25,26)27/h3-9,14,19H,1-2,10-13,15-16H2
InChIKeyGKLAKFYZHINVBK-UHFFFAOYSA-N
MW522.48 g/mol
LogP3.22
Rot. Bonds12

About 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one

1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one (PubChem CID 3444215) has the molecular formula C24H25F3N4O6 and a molecular weight of 522.48 g/mol. Its IUPAC name is 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
PubChem CID3444215
Molecular FormulaC24H25F3N4O6
Molecular Weight522.48 g/mol
Exact Mass522.17
IUPAC Name1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
SMILESC=CCOc1nc(OCC=C)nc(OCC2CN(C(=O)C=Cc3cccc(OC(F)(F)F)c3)CCO2)n1
InChIInChI=1S/C24H25F3N4O6/c1-3-11-34-21-28-22(35-12-4-2)30-23(29-21)36-16-19-15-31(10-13-33-19)20(32)9-8-17-6-5-7-18(14-17)37-24(25,26)27/h3-9,14,19H,1-2,10-13,15-16H2
InChIKeyGKLAKFYZHINVBK-UHFFFAOYSA-N
XLogP3.22
TPSA105.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one 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 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one (CID 3444215) is 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is C=CCOc1nc(OCC=C)nc(OCC2CN(C(=O)C=Cc3cccc(OC(F)(F)F)c3)CCO2)n1.
What is the InChIKey of 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The InChIKey is GKLAKFYZHINVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O6/c1-3-11-34-21-28-22(35-12-4-2)30-23(29-21)36-16-19-15-31(10-13-33-19)20(32)9-8-17-6-5-7-18(14-17)37-24(25,26)27/h3-9,14,19H,1-2,10-13,15-16H2.
What are the key properties of 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one has a molecular weight of 522.48 g/mol, XLogP of 3.22, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 3444215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).