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

C26H19FN6O2 — CID 53482836

IUPAC[4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C26H19FN6O2/c27-21-12-10-18(11-13-21)17-6-8-20(9-7-17)26(34)32-14-15-33-22(16-32)29-30-24(33)25-28-23(31-35-25)19-4-2-1-3-5-19/h1-13H,14-16H2
InChIKeyGZWRRAGZOUCFMN-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.46
Rot. Bonds4

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

[4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 53482836) has the molecular formula C26H19FN6O2 and a molecular weight of 466.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID53482836
Molecular FormulaC26H19FN6O2
Molecular Weight466.48 g/mol
Exact Mass466.16
IUPAC Name[4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C26H19FN6O2/c27-21-12-10-18(11-13-21)17-6-8-20(9-7-17)26(34)32-14-15-33-22(16-32)29-30-24(33)25-28-23(31-35-25)19-4-2-1-3-5-19/h1-13H,14-16H2
InChIKeyGZWRRAGZOUCFMN-UHFFFAOYSA-N
XLogP4.46
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 53482836) is [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is GZWRRAGZOUCFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O2/c27-21-12-10-18(11-13-21)17-6-8-20(9-7-17)26(34)32-14-15-33-22(16-32)29-30-24(33)25-28-23(31-35-25)19-4-2-1-3-5-19/h1-13H,14-16H2.
What are the key properties of [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 466.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 53482836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).