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

C7H9F3N4O — CID 3041948

IUPAC2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCc1nc(NCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4-12-5(7(8,9)10)14-6(13-4)11-2-3-15/h15H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyLQXCPZODGZUKED-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.60
Rot. Bonds3

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

2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3041948) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3041948
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCc1nc(NCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4-12-5(7(8,9)10)14-6(13-4)11-2-3-15/h15H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyLQXCPZODGZUKED-UHFFFAOYSA-N
XLogP0.60
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 132395027
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
CID 23198945
1-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 88501029
[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 88503485
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123689010
2-[[4-(2-Hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
CID 22225
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
2-[2,2-Difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 107495179

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol (CID 3041948) is 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol is Cc1nc(NCCO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is LQXCPZODGZUKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-4-12-5(7(8,9)10)14-6(13-4)11-2-3-15/h15H,2-3H2,1H3,(H,11,12,13,14).
What are the key properties of 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 222.17 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3041948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).