1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one

C9H11FN4O — CID 10632239

IUPAC1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one
SMILESCC1CN(c2cccc(F)n2)NC(=O)N1
InChIInChI=1S/C9H11FN4O/c1-6-5-14(13-9(15)11-6)8-4-2-3-7(10)12-8/h2-4,6H,5H2,1H3,(H2,11,13,15)
InChIKeyOTXFFVUHGQUTEV-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.64
Rot. Bonds1

About 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one

1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one (PubChem CID 10632239) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one
PubChem CID10632239
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one
SMILESCC1CN(c2cccc(F)n2)NC(=O)N1
InChIInChI=1S/C9H11FN4O/c1-6-5-14(13-9(15)11-6)8-4-2-3-7(10)12-8/h2-4,6H,5H2,1H3,(H2,11,13,15)
InChIKeyOTXFFVUHGQUTEV-UHFFFAOYSA-N
XLogP0.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4-Triazin-3(2H)-one, tetrahydro-1-(2-pyridinyl)-
CID 10702459
1-(6-Chloro-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10059051
1-(6-Bromo-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10587216
1-(6-Chloro-pyridin-2-yl)-5-methyl-[1,2,4]triazinan-3-one
CID 10633035
1-(6-Methyl-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10679286
5-Methyl-1-(6-methyl-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10726964
1-(6-Fluoropyridin-2-yl)-1,2,4-triazinan-3-one
CID 10845542
1-(6-Bromopyridin-2-yl)-5-methyl-1,2,4-triazinan-3-one
CID 10849702
1-(6-Fluoropyridin-2-yl)piperazine
CID 3728818
1-(6-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-ol
CID 1478417
1-(4-Fluorophenyl)-3-(2-((6-((6-methylpyridin-2-yl)amino)pyridazin-3-yl)amino)ethyl)urea
CID 42111732
1-(2-Fluorophenyl)-3-(2-((6-((6-methylpyridin-2-yl)amino)pyridazin-3-yl)amino)ethyl)urea
CID 42111734

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one (CID 10632239) is 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one is CC1CN(c2cccc(F)n2)NC(=O)N1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
The InChIKey is OTXFFVUHGQUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c1-6-5-14(13-9(15)11-6)8-4-2-3-7(10)12-8/h2-4,6H,5H2,1H3,(H2,11,13,15).
What are the key properties of 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one has a molecular weight of 210.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 10632239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).