5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane

C13H19F2N5 — CID 178041170

IUPAC5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane
SMILESCC.Cc1cc2ncnn2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H13F2N5.C2H6/c1-8-6-9-14-7-15-18(9)10(16-8)17-4-2-11(12,13)3-5-17;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyCUPKZFIRZNXZDL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.69
Rot. Bonds1

About 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane

5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane (PubChem CID 178041170) has the molecular formula C13H19F2N5 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane
PubChem CID178041170
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane
SMILESCC.Cc1cc2ncnn2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H13F2N5.C2H6/c1-8-6-9-14-7-15-18(9)10(16-8)17-4-2-11(12,13)3-5-17;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyCUPKZFIRZNXZDL-UHFFFAOYSA-N
XLogP2.69
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane (CID 178041170) is 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane is CC.Cc1cc2ncnn2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
The InChIKey is CUPKZFIRZNXZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5.C2H6/c1-8-6-9-14-7-15-18(9)10(16-8)17-4-2-11(12,13)3-5-17;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane has a molecular weight of 283.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane is sourced from PubChem (CID 178041170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).