5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

C18H11ClF2N4O — CID 53331782

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C18H11ClF2N4O/c19-14-2-1-3-15(21)13(14)9-24-18(26)17-8-16(23-25(17)10-22-24)11-4-6-12(20)7-5-11/h1-8,10H,9H2
InChIKeyNOJIAEFFNZBYHV-UHFFFAOYSA-N
MW372.76 g/mol
LogP3.54
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 53331782) has the molecular formula C18H11ClF2N4O and a molecular weight of 372.76 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID53331782
Molecular FormulaC18H11ClF2N4O
Molecular Weight372.76 g/mol
Exact Mass372.06
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C18H11ClF2N4O/c19-14-2-1-3-15(21)13(14)9-24-18(26)17-8-16(23-25(17)10-22-24)11-4-6-12(20)7-5-11/h1-8,10H,9H2
InChIKeyNOJIAEFFNZBYHV-UHFFFAOYSA-N
XLogP3.54
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 53331782) is 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1c(F)cccc1Cl.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is NOJIAEFFNZBYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4O/c19-14-2-1-3-15(21)13(14)9-24-18(26)17-8-16(23-25(17)10-22-24)11-4-6-12(20)7-5-11/h1-8,10H,9H2.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 372.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 53331782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).