7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one

C17H11F2N5O — CID 1444323

IUPAC7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2nnn1Cc1ccc(F)cc1
InChIInChI=1S/C17H11F2N5O/c18-12-3-1-11(2-4-12)10-23-17(25)15-9-20-24(16(15)21-22-23)14-7-5-13(19)6-8-14/h1-9H,10H2
InChIKeyLOEIICNJUIUYAT-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.30
Rot. Bonds3

About 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one

7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one (PubChem CID 1444323) has the molecular formula C17H11F2N5O and a molecular weight of 339.31 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one
PubChem CID1444323
Molecular FormulaC17H11F2N5O
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2nnn1Cc1ccc(F)cc1
InChIInChI=1S/C17H11F2N5O/c18-12-3-1-11(2-4-12)10-23-17(25)15-9-20-24(16(15)21-22-23)14-7-5-13(19)6-8-14/h1-9H,10H2
InChIKeyLOEIICNJUIUYAT-UHFFFAOYSA-N
XLogP2.30
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-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

7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444398
3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444510
2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
CID 6487805
cyclohexyl 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetate
CID 651351
3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 167961975
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
CID 6487824
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one
CID 1444440
1-(3,4-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846861
6-[(3,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847145
1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 20888514
N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
CID 1444490
1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 6623238

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one (CID 1444323) is 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one is O=c1c2cnn(-c3ccc(F)cc3)c2nnn1Cc1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
The InChIKey is LOEIICNJUIUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O/c18-12-3-1-11(2-4-12)10-23-17(25)15-9-20-24(16(15)21-22-23)14-7-5-13(19)6-8-14/h1-9H,10H2.
What are the key properties of 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one has a molecular weight of 339.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 1444323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).