8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine

C10H12F2N6 — CID 170783951

IUPAC8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine
SMILESNc1cn2cnnc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H12F2N6/c11-10(12)1-3-17(4-2-10)8-9-16-14-6-18(9)5-7(13)15-8/h5-6H,1-4,13H2
InChIKeyCNUAIEWPRKYJRW-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.94
Rot. Bonds1

About 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine

8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine (PubChem CID 170783951) has the molecular formula C10H12F2N6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine
PubChem CID170783951
Molecular FormulaC10H12F2N6
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC Name8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine
SMILESNc1cn2cnnc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H12F2N6/c11-10(12)1-3-17(4-2-10)8-9-16-14-6-18(9)5-7(13)15-8/h5-6H,1-4,13H2
InChIKeyCNUAIEWPRKYJRW-UHFFFAOYSA-N
XLogP0.94
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine?
The IUPAC name of 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine (CID 170783951) is 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine.
What is the SMILES notation for 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine?
The canonical SMILES for 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine is Nc1cn2cnnc2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine?
The InChIKey is CNUAIEWPRKYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6/c11-10(12)1-3-17(4-2-10)8-9-16-14-6-18(9)5-7(13)15-8/h5-6H,1-4,13H2.
What are the key properties of 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine?
8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine has a molecular weight of 254.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-6-amine is sourced from PubChem (CID 170783951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).