(3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol

C11H15F3N4O2 — CID 171558110

IUPAC(3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESCN(c1cncc(C(F)(F)F)n1)[C@H]1CNC[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15F3N4O2/c1-18(6-2-15-3-7(19)10(6)20)9-5-16-4-8(17-9)11(12,13)14/h4-7,10,15,19-20H,2-3H2,1H3/t6-,7-,10+/m0/s1
InChIKeyQRDAJJBPBYCUJT-MHYGZLNHSA-N
MW292.26 g/mol
LogP-0.37
Rot. Bonds2

About (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol

(3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (PubChem CID 171558110) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
PubChem CID171558110
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name(3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESCN(c1cncc(C(F)(F)F)n1)[C@H]1CNC[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15F3N4O2/c1-18(6-2-15-3-7(19)10(6)20)9-5-16-4-8(17-9)11(12,13)14/h4-7,10,15,19-20H,2-3H2,1H3/t6-,7-,10+/m0/s1
InChIKeyQRDAJJBPBYCUJT-MHYGZLNHSA-N
XLogP-0.37
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
(2R,3R,4R,5S)-2-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171399995
(2R,3R,4R,5S)-2-(azepan-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556588
(2S,3R,4R,5S)-2-(difluoromethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556728
(3S,4R,5S)-1-(2,2,2-trifluoroethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557102
(3S,4R,5S)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557158
(3S,4R,5S)-1-ethyl-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557404
(2R,3R,4R,5S)-2-[(1,3,5-triazin-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171557609
2-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetonitrile
CID 171557793
1-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]ethanone
CID 171557813
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557837

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The IUPAC name of (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (CID 171558110) is (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The canonical SMILES for (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is CN(c1cncc(C(F)(F)F)n1)[C@H]1CNC[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The InChIKey is QRDAJJBPBYCUJT-MHYGZLNHSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-18(6-2-15-3-7(19)10(6)20)9-5-16-4-8(17-9)11(12,13)14/h4-7,10,15,19-20H,2-3H2,1H3/t6-,7-,10+/m0/s1.
What are the key properties of (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
(3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol has a molecular weight of 292.26 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is sourced from PubChem (CID 171558110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).