3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine

C13H13F2N3 — CID 112559313

IUPAC3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine
SMILESCCNc1nccnc1-c1cccc(C(F)F)c1
InChIInChI=1S/C13H13F2N3/c1-2-16-13-11(17-6-7-18-13)9-4-3-5-10(8-9)12(14)15/h3-8,12H,2H2,1H3,(H,16,18)
InChIKeyBWOPTGIYECRDFI-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.51
Rot. Bonds4

About 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine

3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine (PubChem CID 112559313) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine
PubChem CID112559313
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine
SMILESCCNc1nccnc1-c1cccc(C(F)F)c1
InChIInChI=1S/C13H13F2N3/c1-2-16-13-11(17-6-7-18-13)9-4-3-5-10(8-9)12(14)15/h3-8,12H,2H2,1H3,(H,16,18)
InChIKeyBWOPTGIYECRDFI-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine (CID 112559313) is 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine is CCNc1nccnc1-c1cccc(C(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine?
The InChIKey is BWOPTGIYECRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-2-16-13-11(17-6-7-18-13)9-4-3-5-10(8-9)12(14)15/h3-8,12H,2H2,1H3,(H,16,18).
What are the key properties of 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine?
3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine has a molecular weight of 249.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 112559313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).