2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine

C13H19F3N4O5 — CID 171556862

IUPAC2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(O)CNCC1OCCC(O)C1O
InChIInChI=1S/C8H15NO5.C5H4F3N3/c10-5-1-2-14-6(8(5)13)3-9-4-7(11)12;6-5(7,8)3-1-10-2-4(9)11-3/h5-6,8-10,13H,1-4H2,(H,11,12);1-2H,(H2,9,11)
InChIKeyFYRGMJMEBNYJEH-UHFFFAOYSA-N
MW368.31 g/mol
LogP-0.75
Rot. Bonds4

About 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine

2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556862) has the molecular formula C13H19F3N4O5 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556862
Molecular FormulaC13H19F3N4O5
Molecular Weight368.31 g/mol
Exact Mass368.13
IUPAC Name2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(O)CNCC1OCCC(O)C1O
InChIInChI=1S/C8H15NO5.C5H4F3N3/c10-5-1-2-14-6(8(5)13)3-9-4-7(11)12;6-5(7,8)3-1-10-2-4(9)11-3/h5-6,8-10,13H,1-4H2,(H,11,12);1-2H,(H2,9,11)
InChIKeyFYRGMJMEBNYJEH-UHFFFAOYSA-N
XLogP-0.75
TPSA150.82 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoylamino]benzoic acid;6-(trifluoromethyl)pyrazin-2-amine
CID 171557366
2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557854
3-cyano-N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-pyrazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556881
N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyridine-3-carboxamide;ethane;6-(trifluoromethyl)pyrazin-2-amine
CID 176953241
2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
CID 171558060
2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine
CID 177015828
(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol
CID 126606523
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinazoline-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171558033
2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558141
2-[2-[2-[2-[[1-[3-[2-[2-[2-[2-[[(3R,4R)-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid
CID 167221734
(2R,3R,4R)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222175
1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine
CID 178007692

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine (CID 171556862) is 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(O)CNCC1OCCC(O)C1O.
What is the InChIKey of 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is FYRGMJMEBNYJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5.C5H4F3N3/c10-5-1-2-14-6(8(5)13)3-9-4-7(11)12;6-5(7,8)3-1-10-2-4(9)11-3/h5-6,8-10,13H,1-4H2,(H,11,12);1-2H,(H2,9,11).
What are the key properties of 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?
2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 368.31 g/mol, XLogP of -0.75, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).