[4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol

C6H7F3N4O — CID 154423237

IUPAC[4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol
SMILESNc1nc(CO)nc(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)1-3-11-4(2-14)13-5(10)12-3/h14H,1-2H2,(H2,10,11,12,13)
InChIKeyFSRXTWFDDXTJGE-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.05
Rot. Bonds2

About [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol

[4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol (PubChem CID 154423237) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol.

Molecular Properties

Compound Name[4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol
PubChem CID154423237
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name[4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol
SMILESNc1nc(CO)nc(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)1-3-11-4(2-14)13-5(10)12-3/h14H,1-2H2,(H2,10,11,12,13)
InChIKeyFSRXTWFDDXTJGE-UHFFFAOYSA-N
XLogP0.05
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4,6-Diamino-1,3,5-triazin-2-yl)methanol
CID 10630590
2-(4-Amino-6-fluoro-1,3,5-triazin-2-yl)ethanol
CID 140358871
4-Ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476932
4-Ethyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 113820086
4-Propyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 113820087
[4,6-Bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol
CID 164956738
1-(4,6-Diamino-1,3,5-triazin-2-yl)ethanol
CID 21820781
(4-Amino-6-methyl-1,3,5-triazin-2-yl)methanol
CID 68523475
1-(4-Amino-6-methyl-1,3,5-triazin-2-yl)ethanol
CID 173421164
1-[4-Amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
CID 174951671
(1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol
CID 103961005
1-(4-Amino-6-chloro-1,3,5-triazin-2-yl)ethanol
CID 119082845

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol?
The IUPAC name of [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol (CID 154423237) is [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol.
What is the SMILES notation for [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol?
The canonical SMILES for [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol is Nc1nc(CO)nc(CC(F)(F)F)n1.
What is the InChIKey of [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol?
The InChIKey is FSRXTWFDDXTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)1-3-11-4(2-14)13-5(10)12-3/h14H,1-2H2,(H2,10,11,12,13).
What are the key properties of [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol?
[4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol has a molecular weight of 208.14 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol is sourced from PubChem (CID 154423237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).