5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H15FN4O — CID 155560542

IUPAC5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccccc2)nc2nc(Cc3ccc(F)cc3)[nH]n12
InChIInChI=1S/C19H15FN4O/c20-15-8-6-14(7-9-15)11-17-22-19-21-16(12-18(25)24(19)23-17)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyFHWMTFPJNOKCCJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.74
Rot. Bonds4

About 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155560542) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155560542
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccccc2)nc2nc(Cc3ccc(F)cc3)[nH]n12
InChIInChI=1S/C19H15FN4O/c20-15-8-6-14(7-9-15)11-17-22-19-21-16(12-18(25)24(19)23-17)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyFHWMTFPJNOKCCJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155560542) is 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cc2ccccc2)nc2nc(Cc3ccc(F)cc3)[nH]n12.
What is the InChIKey of 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FHWMTFPJNOKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-15-8-6-14(7-9-15)11-17-22-19-21-16(12-18(25)24(19)23-17)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,22,23).
What are the key properties of 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 334.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155560542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).