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

C15H19F3N6O — CID 133335912

IUPAC7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(CC3CCOC3)CC2)n2ncnc2n1
InChIInChI=1S/C15H19F3N6O/c16-15(17,18)12-7-13(24-14(21-12)19-10-20-24)23-4-2-22(3-5-23)8-11-1-6-25-9-11/h7,10-11H,1-6,8-9H2
InChIKeyISMWDLHERMYRBW-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.30
Rot. Bonds3

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

7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133335912) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133335912
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(CC3CCOC3)CC2)n2ncnc2n1
InChIInChI=1S/C15H19F3N6O/c16-15(17,18)12-7-13(24-14(21-12)19-10-20-24)23-4-2-22(3-5-23)8-11-1-6-25-9-11/h7,10-11H,1-6,8-9H2
InChIKeyISMWDLHERMYRBW-UHFFFAOYSA-N
XLogP1.30
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133335912) is 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(N2CCN(CC3CCOC3)CC2)n2ncnc2n1.
What is the InChIKey of 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ISMWDLHERMYRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c16-15(17,18)12-7-13(24-14(21-12)19-10-20-24)23-4-2-22(3-5-23)8-11-1-6-25-9-11/h7,10-11H,1-6,8-9H2.
What are the key properties of 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 356.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133335912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).