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

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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).