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

C19H16F2N4O2 — CID 134794416

IUPAC2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C19H16F2N4O2/c20-14-3-1-13(2-4-14)11-18(26)23-9-10-24-17(12-23)22-25(19(24)27)16-7-5-15(21)6-8-16/h1-8H,9-12H2
InChIKeyWAYYROADUHIPFY-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.90
Rot. Bonds3

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

2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134794416) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134794416
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C19H16F2N4O2/c20-14-3-1-13(2-4-14)11-18(26)23-9-10-24-17(12-23)22-25(19(24)27)16-7-5-15(21)6-8-16/h1-8H,9-12H2
InChIKeyWAYYROADUHIPFY-UHFFFAOYSA-N
XLogP1.90
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134794416) is 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(Cc1ccc(F)cc1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1.
What is the InChIKey of 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WAYYROADUHIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-14-3-1-13(2-4-14)11-18(26)23-9-10-24-17(12-23)22-25(19(24)27)16-7-5-15(21)6-8-16/h1-8H,9-12H2.
What are the key properties of 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 370.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134794416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).