5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine

C11H9F3N4O — CID 129032545

IUPAC5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine
SMILESNc1ncc(Oc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)6-1-3-7(4-2-6)19-8-5-17-9(15)10(16)18-8/h1-5H,(H2,15,17)(H2,16,18)
InChIKeyOBWNWBZOHXFSFE-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.45
Rot. Bonds2

About 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine

5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine (PubChem CID 129032545) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine
PubChem CID129032545
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine
SMILESNc1ncc(Oc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)6-1-3-7(4-2-6)19-8-5-17-9(15)10(16)18-8/h1-5H,(H2,15,17)(H2,16,18)
InChIKeyOBWNWBZOHXFSFE-UHFFFAOYSA-N
XLogP2.45
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine?
The IUPAC name of 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine (CID 129032545) is 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine is Nc1ncc(Oc2ccc(C(F)(F)F)cc2)nc1N.
What is the InChIKey of 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine?
The InChIKey is OBWNWBZOHXFSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)6-1-3-7(4-2-6)19-8-5-17-9(15)10(16)18-8/h1-5H,(H2,15,17)(H2,16,18).
What are the key properties of 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine?
5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine has a molecular weight of 270.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenoxy]pyrazine-2,3-diamine is sourced from PubChem (CID 129032545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).