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

C13H15F3N6O2 — CID 154736285

IUPAC1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
SMILESCOCCN1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1=O
InChIInChI=1S/C13H15F3N6O2/c1-24-5-4-20-2-3-21(7-11(20)23)10-6-9(13(14,15)16)19-12-17-8-18-22(10)12/h6,8H,2-5,7H2,1H3
InChIKeyNOBANRAMGLAZGO-UHFFFAOYSA-N
MW344.30 g/mol
LogP0.44
Rot. Bonds4

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

1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one (PubChem CID 154736285) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
PubChem CID154736285
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
SMILESCOCCN1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1=O
InChIInChI=1S/C13H15F3N6O2/c1-24-5-4-20-2-3-21(7-11(20)23)10-6-9(13(14,15)16)19-12-17-8-18-22(10)12/h6,8H,2-5,7H2,1H3
InChIKeyNOBANRAMGLAZGO-UHFFFAOYSA-N
XLogP0.44
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one (CID 154736285) is 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one is COCCN1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The InChIKey is NOBANRAMGLAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c1-24-5-4-20-2-3-21(7-11(20)23)10-6-9(13(14,15)16)19-12-17-8-18-22(10)12/h6,8H,2-5,7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one has a molecular weight of 344.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one is sourced from PubChem (CID 154736285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).