6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H19FN6O — CID 142496563

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCN(c4ccc(F)cc4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C17H19FN6O/c1-11-15(16(25)24-17(19-11)20-12(2)21-24)23-9-7-22(8-10-23)14-5-3-13(18)4-6-14/h3-6H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyKQBLACSOINYPOJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.50
Rot. Bonds2

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142496563) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID142496563
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCN(c4ccc(F)cc4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C17H19FN6O/c1-11-15(16(25)24-17(19-11)20-12(2)21-24)23-9-7-22(8-10-23)14-5-3-13(18)4-6-14/h3-6H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyKQBLACSOINYPOJ-UHFFFAOYSA-N
XLogP1.50
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142496563) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(N3CCN(c4ccc(F)cc4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KQBLACSOINYPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-11-15(16(25)24-17(19-11)20-12(2)21-24)23-9-7-22(8-10-23)14-5-3-13(18)4-6-14/h3-6H,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 342.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142496563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).