2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C19H17FN4O — CID 134793385

IUPAC2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C19H17FN4O/c20-16-8-6-14(7-9-16)12-18(25)23-10-11-24-17(13-23)21-22-19(24)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyNVZIEURXAPYARW-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.67
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 134793385) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID134793385
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C19H17FN4O/c20-16-8-6-14(7-9-16)12-18(25)23-10-11-24-17(13-23)21-22-19(24)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyNVZIEURXAPYARW-UHFFFAOYSA-N
XLogP2.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 134793385) is 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is NVZIEURXAPYARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-16-8-6-14(7-9-16)12-18(25)23-10-11-24-17(13-23)21-22-19(24)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 336.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 134793385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).