3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine

C15H24F3N3O2 — CID 171558116

IUPAC3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)CC1CCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H20O2.C5H4F3N3/c1-7(2)6-8-4-3-5-9(11)10(8)12;6-5(7,8)3-1-10-2-4(9)11-3/h7-12H,3-6H2,1-2H3;1-2H,(H2,9,11)
InChIKeyUDHDDKALJPEOHR-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.63
Rot. Bonds2

About 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine

3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171558116) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171558116
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)CC1CCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H20O2.C5H4F3N3/c1-7(2)6-8-4-3-5-9(11)10(8)12;6-5(7,8)3-1-10-2-4(9)11-3/h7-12H,3-6H2,1-2H3;1-2H,(H2,9,11)
InChIKeyUDHDDKALJPEOHR-UHFFFAOYSA-N
XLogP2.63
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167448159
(2S)-3-(2-methylpropyl)-6-[[6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexane-1,2-diol
CID 171557946
(2S)-3-ethyl-6-[[6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexane-1,2-diol
CID 171558170
Ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 176953564
6-Propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178007659
(1R,2S,3R,6S)-4,4-difluoro-3-propyl-6-[[6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexane-1,2-diol
CID 178007711
(1R,2S,3R,6S)-3-(2-methylpropyl)-6-[[6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexane-1,2-diol
CID 178007726
1-Methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178007892
(1R,2S,3R,4S,6S)-4-fluoro-3-(2-methylpropyl)-6-[[6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexane-1,2-diol
CID 178008323

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171558116) is 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine is CC(C)CC1CCCC(O)C1O.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is UDHDDKALJPEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C5H4F3N3/c1-7(2)6-8-4-3-5-9(11)10(8)12;6-5(7,8)3-1-10-2-4(9)11-3/h7-12H,3-6H2,1-2H3;1-2H,(H2,9,11).
What are the key properties of 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine?
3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171558116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).