5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine

C11H8F3N3O — CID 80664179

IUPAC5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine
SMILESNc1cnc(Oc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-2-1-3-8(4-7)18-10-6-16-9(15)5-17-10/h1-6H,(H2,15,16)
InChIKeyIPZPOLWWDUJBFP-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

About 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine

5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine (PubChem CID 80664179) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine
PubChem CID80664179
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine
SMILESNc1cnc(Oc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-2-1-3-8(4-7)18-10-6-16-9(15)5-17-10/h1-6H,(H2,15,16)
InChIKeyIPZPOLWWDUJBFP-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine?
The IUPAC name of 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine (CID 80664179) is 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine is Nc1cnc(Oc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine?
The InChIKey is IPZPOLWWDUJBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-2-1-3-8(4-7)18-10-6-16-9(15)5-17-10/h1-6H,(H2,15,16).
What are the key properties of 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine?
5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine has a molecular weight of 255.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 80664179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).