6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

C13H16F2N6 — CID 169091939

IUPAC6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCn1cc(-c2ncc(N)nc2N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H16F2N6/c1-20-8-9(6-18-20)11-12(19-10(16)7-17-11)21-4-2-13(14,15)3-5-21/h6-8H,2-5H2,1H3,(H2,16,19)
InChIKeyGIDIZQJNGFDLOP-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.69
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 169091939) has the molecular formula C13H16F2N6 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
PubChem CID169091939
Molecular FormulaC13H16F2N6
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCn1cc(-c2ncc(N)nc2N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H16F2N6/c1-20-8-9(6-18-20)11-12(19-10(16)7-17-11)21-4-2-13(14,15)3-5-21/h6-8H,2-5H2,1H3,(H2,16,19)
InChIKeyGIDIZQJNGFDLOP-UHFFFAOYSA-N
XLogP1.69
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (CID 169091939) is 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is Cn1cc(-c2ncc(N)nc2N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is GIDIZQJNGFDLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N6/c1-20-8-9(6-18-20)11-12(19-10(16)7-17-11)21-4-2-13(14,15)3-5-21/h6-8H,2-5H2,1H3,(H2,16,19).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 294.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 169091939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).