2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C10H15F3N6O — CID 3041956

IUPAC2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESNc1nc(N2CCN(CCO)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N6O/c11-10(12,13)7-15-8(14)17-9(16-7)19-3-1-18(2-4-19)5-6-20/h20H,1-6H2,(H2,14,15,16,17)
InChIKeyQCKGSDOBTWVCSI-UHFFFAOYSA-N
MW292.26 g/mol
LogP-0.41
Rot. Bonds3

About 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 3041956) has the molecular formula C10H15F3N6O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID3041956
Molecular FormulaC10H15F3N6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESNc1nc(N2CCN(CCO)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N6O/c11-10(12,13)7-15-8(14)17-9(16-7)19-3-1-18(2-4-19)5-6-20/h20H,1-6H2,(H2,14,15,16,17)
InChIKeyQCKGSDOBTWVCSI-UHFFFAOYSA-N
XLogP-0.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-Triazine-2-amine, N-methyl-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 3041953
2-Amino-4-morpholino-6-(trifluoromethyl)-1,3,5-triazine
CID 596474
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857860
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864972
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485352
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485609
3-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
CID 131962944
2,2'-((4-Amino-6-morpholino-1,3,5-triazin-2-yl)methylimino)diethanol
CID 607000
2-[4-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol
CID 60670291
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol
CID 60683854
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol
CID 60686141

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 3041956) is 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Nc1nc(N2CCN(CCO)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is QCKGSDOBTWVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6O/c11-10(12,13)7-15-8(14)17-9(16-7)19-3-1-18(2-4-19)5-6-20/h20H,1-6H2,(H2,14,15,16,17).
What are the key properties of 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 292.26 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 3041956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).