2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H19F3N6 — CID 3238322

IUPAC2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(C)nc2n1
InChIInChI=1S/C18H19F3N6/c1-12-10-16(27-17(22-12)23-13(2)24-27)26-8-6-25(7-9-26)15-5-3-4-14(11-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3
InChIKeyUQTSBXRRJSRWLC-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.09
Rot. Bonds2

About 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3238322) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3238322
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(C)nc2n1
InChIInChI=1S/C18H19F3N6/c1-12-10-16(27-17(22-12)23-13(2)24-27)26-8-6-25(7-9-26)15-5-3-4-14(11-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3
InChIKeyUQTSBXRRJSRWLC-UHFFFAOYSA-N
XLogP3.09
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3238322) is 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UQTSBXRRJSRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-12-10-16(27-17(22-12)23-13(2)24-27)26-8-6-25(7-9-26)15-5-3-4-14(11-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 376.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3238322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).