2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine

C6H8F2N4 — CID 79098168

IUPAC2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC(F)F)n1
InChIInChI=1S/C6H8F2N4/c7-4(8)1-11-6-3-10-2-5(9)12-6/h2-4H,1H2,(H3,9,11,12)
InChIKeyZBAURQLSKUYOBY-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.74
Rot. Bonds3

About 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine

2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine (PubChem CID 79098168) has the molecular formula C6H8F2N4 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine
PubChem CID79098168
Molecular FormulaC6H8F2N4
Molecular Weight174.15 g/mol
Exact Mass174.07
IUPAC Name2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC(F)F)n1
InChIInChI=1S/C6H8F2N4/c7-4(8)1-11-6-3-10-2-5(9)12-6/h2-4H,1H2,(H3,9,11,12)
InChIKeyZBAURQLSKUYOBY-UHFFFAOYSA-N
XLogP0.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine (CID 79098168) is 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine is Nc1cncc(NCC(F)F)n1.
What is the InChIKey of 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine?
The InChIKey is ZBAURQLSKUYOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4/c7-4(8)1-11-6-3-10-2-5(9)12-6/h2-4H,1H2,(H3,9,11,12).
What are the key properties of 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine?
2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine has a molecular weight of 174.15 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 79098168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).