3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

C13H17FN6O — CID 110187474

IUPAC3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(CN2CCN(c3cccc(F)n3)CC2)NN1
InChIInChI=1S/C13H17FN6O/c14-10-2-1-3-12(16-10)20-6-4-19(5-7-20)9-11-15-8-13(21)18-17-11/h1-3H,4-9H2,(H,15,17)(H,18,21)
InChIKeyBELIRMYGLORMDL-UHFFFAOYSA-N
MW292.32 g/mol
LogP-0.62
Rot. Bonds3

About 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 110187474) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID110187474
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(CN2CCN(c3cccc(F)n3)CC2)NN1
InChIInChI=1S/C13H17FN6O/c14-10-2-1-3-12(16-10)20-6-4-19(5-7-20)9-11-15-8-13(21)18-17-11/h1-3H,4-9H2,(H,15,17)(H,18,21)
InChIKeyBELIRMYGLORMDL-UHFFFAOYSA-N
XLogP-0.62
TPSA72.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one with MolForge

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Related Compounds

1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004
1-benzyl-4-(6-fluoro-2-pyridinyl)-1,4-diazepane
CID 130624204
4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 66061645
2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 71294258
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
2-[5-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pentyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 71294040
N-[(1S)-1-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 15549973
N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
CID 11501572
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171998892
2-(4-fluorophenyl)-1-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
CID 55987649

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 110187474) is 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one is O=C1CN=C(CN2CCN(c3cccc(F)n3)CC2)NN1.
What is the InChIKey of 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is BELIRMYGLORMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c14-10-2-1-3-12(16-10)20-6-4-19(5-7-20)9-11-15-8-13(21)18-17-11/h1-3H,4-9H2,(H,15,17)(H,18,21).
What are the key properties of 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 292.32 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 110187474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).