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

C10H9F3N6O — CID 47277436

IUPAC4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
SMILESO=C1CN(c2cc(C(F)(F)F)nc3ncnn23)CCN1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)6-3-8(18-2-1-14-7(20)4-18)19-9(17-6)15-5-16-19/h3,5H,1-2,4H2,(H,14,20)
InChIKeyQHWHIQZKHVFDNT-UHFFFAOYSA-N
MW286.22 g/mol
LogP0.08
Rot. Bonds1

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

4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one (PubChem CID 47277436) has the molecular formula C10H9F3N6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
PubChem CID47277436
Molecular FormulaC10H9F3N6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
SMILESO=C1CN(c2cc(C(F)(F)F)nc3ncnn23)CCN1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)6-3-8(18-2-1-14-7(20)4-18)19-9(17-6)15-5-16-19/h3,5H,1-2,4H2,(H,14,20)
InChIKeyQHWHIQZKHVFDNT-UHFFFAOYSA-N
XLogP0.08
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The IUPAC name of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one (CID 47277436) is 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The canonical SMILES for 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one is O=C1CN(c2cc(C(F)(F)F)nc3ncnn23)CCN1.
What is the InChIKey of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The InChIKey is QHWHIQZKHVFDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O/c11-10(12,13)6-3-8(18-2-1-14-7(20)4-18)19-9(17-6)15-5-16-19/h3,5H,1-2,4H2,(H,14,20).
What are the key properties of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one has a molecular weight of 286.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one is sourced from PubChem (CID 47277436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).