2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C23H25F3N6O3 — CID 164625224

IUPAC2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCN(CCO)CC3)n2)cc1
InChIInChI=1S/C23H25F3N6O3/c1-34-18-6-2-16(3-7-18)20-28-21(27-17-4-8-19(9-5-17)35-23(24,25)26)30-22(29-20)32-12-10-31(11-13-32)14-15-33/h2-9,33H,10-15H2,1H3,(H,27,28,29,30)
InChIKeyBFIRGDACTLDEDI-UHFFFAOYSA-N
MW490.49 g/mol
LogP3.30
Rot. Bonds8

About 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 164625224) has the molecular formula C23H25F3N6O3 and a molecular weight of 490.49 g/mol. Its IUPAC name is 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID164625224
Molecular FormulaC23H25F3N6O3
Molecular Weight490.49 g/mol
Exact Mass490.19
IUPAC Name2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCN(CCO)CC3)n2)cc1
InChIInChI=1S/C23H25F3N6O3/c1-34-18-6-2-16(3-7-18)20-28-21(27-17-4-8-19(9-5-17)35-23(24,25)26)30-22(29-20)32-12-10-31(11-13-32)14-15-33/h2-9,33H,10-15H2,1H3,(H,27,28,29,30)
InChIKeyBFIRGDACTLDEDI-UHFFFAOYSA-N
XLogP3.30
TPSA95.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 164625224) is 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is COc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCN(CCO)CC3)n2)cc1.
What is the InChIKey of 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is BFIRGDACTLDEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3/c1-34-18-6-2-16(3-7-18)20-28-21(27-17-4-8-19(9-5-17)35-23(24,25)26)30-22(29-20)32-12-10-31(11-13-32)14-15-33/h2-9,33H,10-15H2,1H3,(H,27,28,29,30).
What are the key properties of 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 490.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 164625224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).