7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C11H17F2N5 — CID 136837392

IUPAC7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)C1CCNc2nc(N3CCCCC3)nn21
InChIInChI=1S/C11H17F2N5/c12-9(13)8-4-5-14-10-15-11(16-18(8)10)17-6-2-1-3-7-17/h8-9H,1-7H2,(H,14,15,16)
InChIKeyFUEFCQIDUDMOCP-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.89
Rot. Bonds2

About 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136837392) has the molecular formula C11H17F2N5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136837392
Molecular FormulaC11H17F2N5
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)C1CCNc2nc(N3CCCCC3)nn21
InChIInChI=1S/C11H17F2N5/c12-9(13)8-4-5-14-10-15-11(16-18(8)10)17-6-2-1-3-7-17/h8-9H,1-7H2,(H,14,15,16)
InChIKeyFUEFCQIDUDMOCP-UHFFFAOYSA-N
XLogP1.89
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136837392) is 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)C1CCNc2nc(N3CCCCC3)nn21.
What is the InChIKey of 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FUEFCQIDUDMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5/c12-9(13)8-4-5-14-10-15-11(16-18(8)10)17-6-2-1-3-7-17/h8-9H,1-7H2,(H,14,15,16).
What are the key properties of 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 257.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).