5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

C11H8F3N3O — CID 50969211

IUPAC5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)18-8-3-1-7(2-4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17)
InChIKeyPNMJYKGMMIQWTR-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.62
Rot. Bonds2

About 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 50969211) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID50969211
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)18-8-3-1-7(2-4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17)
InChIKeyPNMJYKGMMIQWTR-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 50969211) is 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is PNMJYKGMMIQWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)18-8-3-1-7(2-4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 255.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 50969211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).