7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H15F2N5 — CID 162521895

IUPAC7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCC(F)(F)CC2)c1C
InChIInChI=1S/C12H15F2N5/c1-8-9(2)17-11-15-7-16-19(11)10(8)18-5-3-12(13,14)4-6-18/h7H,3-6H2,1-2H3
InChIKeyZVTUVPGEKIFIAY-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.98
Rot. Bonds1

About 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 162521895) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID162521895
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCC(F)(F)CC2)c1C
InChIInChI=1S/C12H15F2N5/c1-8-9(2)17-11-15-7-16-19(11)10(8)18-5-3-12(13,14)4-6-18/h7H,3-6H2,1-2H3
InChIKeyZVTUVPGEKIFIAY-UHFFFAOYSA-N
XLogP1.98
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 162521895) is 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CCC(F)(F)CC2)c1C.
What is the InChIKey of 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZVTUVPGEKIFIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-8-9(2)17-11-15-7-16-19(11)10(8)18-5-3-12(13,14)4-6-18/h7H,3-6H2,1-2H3.
What are the key properties of 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 267.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162521895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).