2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C11H17F3N4O3 — CID 171556765

IUPAC2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO3.C5H4F3N3/c7-3-5-6(9)4(8)1-2-10-5;6-5(7,8)3-1-10-2-4(9)11-3/h4-6,8-9H,1-3,7H2;1-2H,(H2,9,11)
InChIKeyGMANVIUQTZQLMD-UHFFFAOYSA-N
MW310.28 g/mol
LogP-0.47
Rot. Bonds1

About 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556765) has the molecular formula C11H17F3N4O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556765
Molecular FormulaC11H17F3N4O3
Molecular Weight310.28 g/mol
Exact Mass310.13
IUPAC Name2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO3.C5H4F3N3/c7-3-5-6(9)4(8)1-2-10-5;6-5(7,8)3-1-10-2-4(9)11-3/h4-6,8-9H,1-3,7H2;1-2H,(H2,9,11)
InChIKeyGMANVIUQTZQLMD-UHFFFAOYSA-N
XLogP-0.47
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 5-0.47
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
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,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
2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]-2-oxoethoxy]ethoxy]acetic acid
CID 167221571
N-[(3aS,4R,7S,7aR)-4-(aminomethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221591
((3aR,4R,7S,7aR)-2,2-dimethyl-7-((6-(trifluoromethyl)pyrazin-2-yl)amino)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol
CID 167221666
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
3-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]-3-oxopropanoic acid
CID 167221728

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171556765) is 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is NCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is GMANVIUQTZQLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.C5H4F3N3/c7-3-5-6(9)4(8)1-2-10-5;6-5(7,8)3-1-10-2-4(9)11-3/h4-6,8-9H,1-3,7H2;1-2H,(H2,9,11).
What are the key properties of 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 310.28 g/mol, XLogP of -0.47, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).