2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol

C15H24F6N6O3 — CID 149285128

IUPAC2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N(CCO)CC(F)(F)F)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C15H24F6N6O3/c1-2-25(3-6-28)11-22-12(26(4-7-29)9-14(16,17)18)24-13(23-11)27(5-8-30)10-15(19,20)21/h28-30H,2-10H2,1H3
InChIKeyXTSQMVOXMWEJHW-UHFFFAOYSA-N
MW450.38 g/mol
LogP0.41
Rot. Bonds12

About 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol

2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol (PubChem CID 149285128) has the molecular formula C15H24F6N6O3 and a molecular weight of 450.38 g/mol. Its IUPAC name is 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
PubChem CID149285128
Molecular FormulaC15H24F6N6O3
Molecular Weight450.38 g/mol
Exact Mass450.18
IUPAC Name2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N(CCO)CC(F)(F)F)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C15H24F6N6O3/c1-2-25(3-6-28)11-22-12(26(4-7-29)9-14(16,17)18)24-13(23-11)27(5-8-30)10-15(19,20)21/h28-30H,2-10H2,1H3
InChIKeyXTSQMVOXMWEJHW-UHFFFAOYSA-N
XLogP0.41
TPSA109.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2,2',2'',2''',2'''',2'''''-(1,3,5-Triazine-2,4,6-triyltrinitrilo)hexakisethanol
CID 78115
Cambridge id 5108292
CID 793109
Ethanol, 2-((4,6-bis(dimethylamino)-s-triazin-2-yl)methylamino)-
CID 104144
Ethanol, 2,2'-((4,6-bis(dimethylamino)-s-triazin-2-yl)imino)di-
CID 3048926
[[4,6-Bis[hydroxymethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10457038
2,2',2'',2'''-((6-Chloro-1,3,5-triazine-2,4-diyl)dinitrilo)tetrakisethanol
CID 714433
1,3,5-Triazine, 2-amino-4,6-bisdi(2-hydroxy)ethylamino-
CID 66883641
[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 14925798
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 20537877
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 53804345
2-[[4,6-Bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol
CID 90392192
2-[[4,6-Bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 148890171

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol (CID 149285128) is 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol is CCN(CCO)c1nc(N(CCO)CC(F)(F)F)nc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The InChIKey is XTSQMVOXMWEJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6N6O3/c1-2-25(3-6-28)11-22-12(26(4-7-29)9-14(16,17)18)24-13(23-11)27(5-8-30)10-15(19,20)21/h28-30H,2-10H2,1H3.
What are the key properties of 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol has a molecular weight of 450.38 g/mol, XLogP of 0.41, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol is sourced from PubChem (CID 149285128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).