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

C18H20FN5O2 — CID 142496539

IUPAC6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCC(Oc4ccc(F)cc4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C18H20FN5O2/c1-11-16(17(25)24-18(20-11)21-12(2)22-24)23-9-7-15(8-10-23)26-14-5-3-13(19)4-6-14/h3-6,15H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyZJTKYAZTXUJEBT-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.22
Rot. Bonds3

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

6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142496539) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID142496539
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCC(Oc4ccc(F)cc4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C18H20FN5O2/c1-11-16(17(25)24-18(20-11)21-12(2)22-24)23-9-7-15(8-10-23)26-14-5-3-13(19)4-6-14/h3-6,15H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyZJTKYAZTXUJEBT-UHFFFAOYSA-N
XLogP2.22
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142496539) is 6-[4-(4-fluorophenoxy)piperidin-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-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(N3CCC(Oc4ccc(F)cc4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZJTKYAZTXUJEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-11-16(17(25)24-18(20-11)21-12(2)22-24)23-9-7-15(8-10-23)26-14-5-3-13(19)4-6-14/h3-6,15H,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of 6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 357.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142496539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).