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

C19H16F4N4O — CID 134787731

IUPAC7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C19H16F4N4O/c20-15-5-1-13(2-6-15)11-25-9-10-26-17(12-25)24-27(18(26)28)16-7-3-14(4-8-16)19(21,22)23/h1-8H,9-12H2
InChIKeyIRRFCHQXLCZIQO-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.21
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134787731) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134787731
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C19H16F4N4O/c20-15-5-1-13(2-6-15)11-25-9-10-26-17(12-25)24-27(18(26)28)16-7-3-14(4-8-16)19(21,22)23/h1-8H,9-12H2
InChIKeyIRRFCHQXLCZIQO-UHFFFAOYSA-N
XLogP3.21
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134787731) is 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is IRRFCHQXLCZIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c20-15-5-1-13(2-6-15)11-25-9-10-26-17(12-25)24-27(18(26)28)16-7-3-14(4-8-16)19(21,22)23/h1-8H,9-12H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 392.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134787731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).