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

C18H16F2N4O — CID 134792129

IUPAC7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(F)cc2F)nc2n1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H16F2N4O/c19-14-6-7-16(15(20)10-14)24-18(25)23-9-8-22(12-17(23)21-24)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyWKHJMXLGDILBJY-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.33
Rot. Bonds3

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

7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134792129) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134792129
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(F)cc2F)nc2n1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H16F2N4O/c19-14-6-7-16(15(20)10-14)24-18(25)23-9-8-22(12-17(23)21-24)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyWKHJMXLGDILBJY-UHFFFAOYSA-N
XLogP2.33
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134792129) is 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(-c2ccc(F)cc2F)nc2n1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WKHJMXLGDILBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-14-6-7-16(15(20)10-14)24-18(25)23-9-8-22(12-17(23)21-24)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2.
What are the key properties of 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 342.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134792129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).