2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C18H15F3N4O — CID 134792743

IUPAC2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(F)cc2F)nc2n1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C18H15F3N4O/c19-13-3-1-12(2-4-13)10-23-7-8-24-17(11-23)22-25(18(24)26)16-6-5-14(20)9-15(16)21/h1-6,9H,7-8,10-11H2
InChIKeyKRBBDXXGSVEDBL-UHFFFAOYSA-N
MW360.34 g/mol
LogP2.47
Rot. Bonds3

About 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134792743) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134792743
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(F)cc2F)nc2n1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C18H15F3N4O/c19-13-3-1-12(2-4-13)10-23-7-8-24-17(11-23)22-25(18(24)26)16-6-5-14(20)9-15(16)21/h1-6,9H,7-8,10-11H2
InChIKeyKRBBDXXGSVEDBL-UHFFFAOYSA-N
XLogP2.47
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134792743) is 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(-c2ccc(F)cc2F)nc2n1CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KRBBDXXGSVEDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-13-3-1-12(2-4-13)10-23-7-8-24-17(11-23)22-25(18(24)26)16-6-5-14(20)9-15(16)21/h1-6,9H,7-8,10-11H2.
What are the key properties of 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 360.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134792743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).