2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C18H12F2N4O — CID 53331774

IUPAC2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1ccccc1F
InChIInChI=1S/C18H12F2N4O/c19-14-7-5-12(6-8-14)16-9-17-18(25)23(21-11-24(17)22-16)10-13-3-1-2-4-15(13)20/h1-9,11H,10H2
InChIKeyIANMOYHIADJEHL-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 53331774) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID53331774
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1ccccc1F
InChIInChI=1S/C18H12F2N4O/c19-14-7-5-12(6-8-14)16-9-17-18(25)23(21-11-24(17)22-16)10-13-3-1-2-4-15(13)20/h1-9,11H,10H2
InChIKeyIANMOYHIADJEHL-UHFFFAOYSA-N
XLogP2.88
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 53331774) is 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1ccccc1F.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is IANMOYHIADJEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-14-7-5-12(6-8-14)16-9-17-18(25)23(21-11-24(17)22-16)10-13-3-1-2-4-15(13)20/h1-9,11H,10H2.
What are the key properties of 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 338.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 53331774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).