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

C10H15F3N6 — CID 136710367

IUPAC2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2nc(N3CCNCC3)nn21
InChIInChI=1S/C10H15F3N6/c11-10(12,13)7-1-2-15-8-16-9(17-19(7)8)18-5-3-14-4-6-18/h7,14H,1-6H2,(H,15,16,17)
InChIKeyCZZCNSFUOCRCHB-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.61
Rot. Bonds1

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

2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136710367) has the molecular formula C10H15F3N6 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136710367
Molecular FormulaC10H15F3N6
Molecular Weight276.27 g/mol
Exact Mass276.13
IUPAC Name2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2nc(N3CCNCC3)nn21
InChIInChI=1S/C10H15F3N6/c11-10(12,13)7-1-2-15-8-16-9(17-19(7)8)18-5-3-14-4-6-18/h7,14H,1-6H2,(H,15,16,17)
InChIKeyCZZCNSFUOCRCHB-UHFFFAOYSA-N
XLogP0.61
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136710367) is 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)C1CCNc2nc(N3CCNCC3)nn21.
What is the InChIKey of 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CZZCNSFUOCRCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6/c11-10(12,13)7-1-2-15-8-16-9(17-19(7)8)18-5-3-14-4-6-18/h7,14H,1-6H2,(H,15,16,17).
What are the key properties of 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 276.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136710367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).