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

C9H11F6N5O — CID 88503485

IUPAC[[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCc1nc(NCC(F)(F)F)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C9H11F6N5O/c1-5-17-6(16-2-8(10,11)12)19-7(18-5)20(4-21)3-9(13,14)15/h21H,2-4H2,1H3,(H,16,17,18,19)
InChIKeyGUDJXYXBFRZENH-UHFFFAOYSA-N
MW319.21 g/mol
LogP1.47
Rot. Bonds5

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

[[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (PubChem CID 88503485) has the molecular formula C9H11F6N5O and a molecular weight of 319.21 g/mol. Its IUPAC name is [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.

Molecular Properties

Compound Name[[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
PubChem CID88503485
Molecular FormulaC9H11F6N5O
Molecular Weight319.21 g/mol
Exact Mass319.09
IUPAC Name[[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCc1nc(NCC(F)(F)F)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C9H11F6N5O/c1-5-17-6(16-2-8(10,11)12)19-7(18-5)20(4-21)3-9(13,14)15/h21H,2-4H2,1H3,(H,16,17,18,19)
InChIKeyGUDJXYXBFRZENH-UHFFFAOYSA-N
XLogP1.47
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 9978430
Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-
CID 3041948
[[4-(Methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10019773
[[4-[Hydroxymethyl(2,2,2-trifluoroethyl)amino]-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10477894
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
[[4-Amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]amino]methanol
CID 68114360
6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 70467120
1-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 88501029
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123689010
[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10333116
6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 130532642

Frequently Asked Questions

What is the IUPAC name of [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The IUPAC name of [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (CID 88503485) is [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.
What is the SMILES notation for [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The canonical SMILES for [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is Cc1nc(NCC(F)(F)F)nc(N(CO)CC(F)(F)F)n1.
What is the InChIKey of [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The InChIKey is GUDJXYXBFRZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N5O/c1-5-17-6(16-2-8(10,11)12)19-7(18-5)20(4-21)3-9(13,14)15/h21H,2-4H2,1H3,(H,16,17,18,19).
What are the key properties of [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
[[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol has a molecular weight of 319.21 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is sourced from PubChem (CID 88503485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).