3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C17H19FN6O — CID 167809253

IUPAC3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCn1ccn2c(CN3CCNCC3c3cccc(F)c3)nnc2c1=O
InChIInChI=1S/C17H19FN6O/c1-22-7-8-24-15(20-21-16(24)17(22)25)11-23-6-5-19-10-14(23)12-3-2-4-13(18)9-12/h2-4,7-9,14,19H,5-6,10-11H2,1H3
InChIKeyAZNIJYLQFOWMEV-UHFFFAOYSA-N
MW342.38 g/mol
LogP0.71
Rot. Bonds3

About 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 167809253) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID167809253
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCn1ccn2c(CN3CCNCC3c3cccc(F)c3)nnc2c1=O
InChIInChI=1S/C17H19FN6O/c1-22-7-8-24-15(20-21-16(24)17(22)25)11-23-6-5-19-10-14(23)12-3-2-4-13(18)9-12/h2-4,7-9,14,19H,5-6,10-11H2,1H3
InChIKeyAZNIJYLQFOWMEV-UHFFFAOYSA-N
XLogP0.71
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

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Related Compounds

1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine
CID 120756289
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120768560
2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 120756439
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 167809253) is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cn1ccn2c(CN3CCNCC3c3cccc(F)c3)nnc2c1=O.
What is the InChIKey of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is AZNIJYLQFOWMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-22-7-8-24-15(20-21-16(24)17(22)25)11-23-6-5-19-10-14(23)12-3-2-4-13(18)9-12/h2-4,7-9,14,19H,5-6,10-11H2,1H3.
What are the key properties of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 342.38 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 167809253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).