6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol

C15H22F3N3O4 — CID 167491654

IUPAC6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
SMILESCO.OC1COC(C2CCC2)C(Nc2cnc(C(F)(F)F)cn2)C1O
InChIInChI=1S/C14H18F3N3O3.CH4O/c15-14(16,17)9-4-19-10(5-18-9)20-11-12(22)8(21)6-23-13(11)7-2-1-3-7;1-2/h4-5,7-8,11-13,21-22H,1-3,6H2,(H,19,20);2H,1H3
InChIKeyUSLHRAVDTSLEIJ-UHFFFAOYSA-N
MW365.35 g/mol
LogP0.81
Rot. Bonds3

About 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol

6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol (PubChem CID 167491654) has the molecular formula C15H22F3N3O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol.

Molecular Properties

Compound Name6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
PubChem CID167491654
Molecular FormulaC15H22F3N3O4
Molecular Weight365.35 g/mol
Exact Mass365.16
IUPAC Name6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
SMILESCO.OC1COC(C2CCC2)C(Nc2cnc(C(F)(F)F)cn2)C1O
InChIInChI=1S/C14H18F3N3O3.CH4O/c15-14(16,17)9-4-19-10(5-18-9)20-11-12(22)8(21)6-23-13(11)7-2-1-3-7;1-2/h4-5,7-8,11-13,21-22H,1-3,6H2,(H,19,20);2H,1H3
InChIKeyUSLHRAVDTSLEIJ-UHFFFAOYSA-N
XLogP0.81
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221665
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167408590
(5S)-2-[4-(cyclobutylmethyl)cyclohexyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 166975415
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]formamide
CID 167221338
(2R,3R,4R,5S)-2-[[(4-cyclopentylcyclohexyl)amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221414
(2R,3R,4R,5S)-2-[[4-[3-(cyclopentylmethyl)cyclopentyl]piperazin-1-yl]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221415
(3R,4R,5S)-2-[[3-(2-cyclobutylethyl)cyclobutyl]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221471
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221498
(2R,3R,4R,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221554
(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221555
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
(3R,4R,5S)-2-[[3-[2-(3-cyclopentylcyclopentyl)ethyl]cyclobutyl]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221656

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
The IUPAC name of 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol (CID 167491654) is 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol.
What is the SMILES notation for 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
The canonical SMILES for 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol is CO.OC1COC(C2CCC2)C(Nc2cnc(C(F)(F)F)cn2)C1O.
What is the InChIKey of 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
The InChIKey is USLHRAVDTSLEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3.CH4O/c15-14(16,17)9-4-19-10(5-18-9)20-11-12(22)8(21)6-23-13(11)7-2-1-3-7;1-2/h4-5,7-8,11-13,21-22H,1-3,6H2,(H,19,20);2H,1H3.
What are the key properties of 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol has a molecular weight of 365.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol is sourced from PubChem (CID 167491654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).