2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H11F3N6O — CID 91658760

IUPAC2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2nc(N3CCNCC3)[nH]n12
InChIInChI=1S/C10H11F3N6O/c11-10(12,13)6-5-7(20)19-8(15-6)16-9(17-19)18-3-1-14-2-4-18/h5,14H,1-4H2,(H,15,16,17)
InChIKeyHJOFQTJKCUFKOE-UHFFFAOYSA-N
MW288.23 g/mol
LogP-0.15
Rot. Bonds1

About 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 91658760) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID91658760
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2nc(N3CCNCC3)[nH]n12
InChIInChI=1S/C10H11F3N6O/c11-10(12,13)6-5-7(20)19-8(15-6)16-9(17-19)18-3-1-14-2-4-18/h5,14H,1-4H2,(H,15,16,17)
InChIKeyHJOFQTJKCUFKOE-UHFFFAOYSA-N
XLogP-0.15
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 5-0.15
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-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 91658760) is 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(C(F)(F)F)nc2nc(N3CCNCC3)[nH]n12.
What is the InChIKey of 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HJOFQTJKCUFKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c11-10(12,13)6-5-7(20)19-8(15-6)16-9(17-19)18-3-1-14-2-4-18/h5,14H,1-4H2,(H,15,16,17).
What are the key properties of 2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.23 g/mol, XLogP of -0.15, 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-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91658760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).