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

C11H15F3N4O3 — CID 175540878

IUPAC2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESNCC1OCC(Nc2cncc(C(F)(F)F)n2)C(O)C1O
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)7-2-16-3-8(18-7)17-5-4-21-6(1-15)10(20)9(5)19/h2-3,5-6,9-10,19-20H,1,4,15H2,(H,17,18)
InChIKeyJPIRNVDGSXGZIP-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.64
Rot. Bonds3

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

2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (PubChem CID 175540878) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
PubChem CID175540878
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESNCC1OCC(Nc2cncc(C(F)(F)F)n2)C(O)C1O
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)7-2-16-3-8(18-7)17-5-4-21-6(1-15)10(20)9(5)19/h2-3,5-6,9-10,19-20H,1,4,15H2,(H,17,18)
InChIKeyJPIRNVDGSXGZIP-UHFFFAOYSA-N
XLogP-0.64
TPSA113.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The IUPAC name of 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (CID 175540878) is 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is NCC1OCC(Nc2cncc(C(F)(F)F)n2)C(O)C1O.
What is the InChIKey of 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The InChIKey is JPIRNVDGSXGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c12-11(13,14)7-2-16-3-8(18-7)17-5-4-21-6(1-15)10(20)9(5)19/h2-3,5-6,9-10,19-20H,1,4,15H2,(H,17,18).
What are the key properties of 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol has a molecular weight of 308.26 g/mol, XLogP of -0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 175540878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).