3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol

C8H10F3N3O3 — CID 114280892

IUPAC3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)17-7-3-13-6(2-14-7)12-1-5(16)4-15/h2-3,5,15-16H,1,4H2,(H,12,13)
InChIKeyDVGOVRHEDZDGIM-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.14
Rot. Bonds5

About 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol

3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol (PubChem CID 114280892) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol
PubChem CID114280892
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)17-7-3-13-6(2-14-7)12-1-5(16)4-15/h2-3,5,15-16H,1,4H2,(H,12,13)
InChIKeyDVGOVRHEDZDGIM-UHFFFAOYSA-N
XLogP0.14
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol (CID 114280892) is 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol is OCC(O)CNc1cnc(OC(F)(F)F)cn1.
What is the InChIKey of 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol?
The InChIKey is DVGOVRHEDZDGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3/c9-8(10,11)17-7-3-13-6(2-14-7)12-1-5(16)4-15/h2-3,5,15-16H,1,4H2,(H,12,13).
What are the key properties of 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol?
3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol has a molecular weight of 253.18 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 114280892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).