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

C11H17F3N6 — CID 136710361

IUPAC5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(N3CCNCC3)nc2N1
InChIInChI=1S/C11H17F3N6/c1-7-6-8(11(12,13)14)20-9(16-7)17-10(18-20)19-4-2-15-3-5-19/h7-8,15H,2-6H2,1H3,(H,16,17,18)
InChIKeyKUURILADEHKWIQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.00
Rot. Bonds1

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

5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136710361) has the molecular formula C11H17F3N6 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136710361
Molecular FormulaC11H17F3N6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC Name5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(N3CCNCC3)nc2N1
InChIInChI=1S/C11H17F3N6/c1-7-6-8(11(12,13)14)20-9(16-7)17-10(18-20)19-4-2-15-3-5-19/h7-8,15H,2-6H2,1H3,(H,16,17,18)
InChIKeyKUURILADEHKWIQ-UHFFFAOYSA-N
XLogP1.00
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136710361) is 5-methyl-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 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1CC(C(F)(F)F)n2nc(N3CCNCC3)nc2N1.
What is the InChIKey of 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KUURILADEHKWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6/c1-7-6-8(11(12,13)14)20-9(16-7)17-10(18-20)19-4-2-15-3-5-19/h7-8,15H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 290.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136710361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).