6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one

C15H13F2N5O — CID 171357876

IUPAC6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one
SMILESNc1ccc(F)cc1C1=NNC(Nc2ccc(F)cc2)NC1=O
InChIInChI=1S/C15H13F2N5O/c16-8-1-4-10(5-2-8)19-15-20-14(23)13(21-22-15)11-7-9(17)3-6-12(11)18/h1-7,15,19,22H,18H2,(H,20,23)
InChIKeyIWCOUWDZZGKCRW-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.37
Rot. Bonds3

About 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one

6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one (PubChem CID 171357876) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one
PubChem CID171357876
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one
SMILESNc1ccc(F)cc1C1=NNC(Nc2ccc(F)cc2)NC1=O
InChIInChI=1S/C15H13F2N5O/c16-8-1-4-10(5-2-8)19-15-20-14(23)13(21-22-15)11-7-9(17)3-6-12(11)18/h1-7,15,19,22H,18H2,(H,20,23)
InChIKeyIWCOUWDZZGKCRW-UHFFFAOYSA-N
XLogP1.37
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-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

N-[2-(2,4-dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide
CID 360750
Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-
CID 3000331
6-(2-amino-5-fluorophenyl)-3-sulfanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 171347228
6-[5-fluoro-2-(methylamino)phenyl]-3-methylsulfanyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 171356633
4-fluoro-N-[4-fluoro-2-(3-methylsulfanyl-5-oxo-3,4-dihydro-2H-1,2,4-triazin-6-yl)phenyl]benzamide
CID 171356702
1-{2-[6-(4-Ethylphenyl)-5-oxo-2,5-di-hydro-3-(4-fluorophenyl)-1,2,4-triazin-3-yl]phenyl}urea
CID 134811862
1-(2,4-Difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 504362
6-(2-amino-5-fluorophenyl)-2H-1,2,4-triazine-3,5-dione
CID 155812976
4-fluoro-N-[2-(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide
CID 4511544
1-[2-(2-fluorophenyl)ethyl]-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
CID 9969279
1-(2,4-Difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea
CID 12972833
1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
CID 59993041

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one?
The IUPAC name of 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one (CID 171357876) is 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one is Nc1ccc(F)cc1C1=NNC(Nc2ccc(F)cc2)NC1=O.
What is the InChIKey of 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one?
The InChIKey is IWCOUWDZZGKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-8-1-4-10(5-2-8)19-15-20-14(23)13(21-22-15)11-7-9(17)3-6-12(11)18/h1-7,15,19,22H,18H2,(H,20,23).
What are the key properties of 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one?
6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one has a molecular weight of 317.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-fluorophenyl)-3-(4-fluoroanilino)-3,4-dihydro-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 171357876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).