2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one

C14H18N4OS — CID 7256655

IUPAC2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(SCCN2CCCCC2)nc2ccccn12
InChIInChI=1S/C14H18N4OS/c19-14-16-13(15-12-6-2-5-9-18(12)14)20-11-10-17-7-3-1-4-8-17/h2,5-6,9H,1,3-4,7-8,10-11H2
InChIKeyBJRMUKPAVKHEJI-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.67
Rot. Bonds4

About 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one

2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 7256655) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID7256655
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(SCCN2CCCCC2)nc2ccccn12
InChIInChI=1S/C14H18N4OS/c19-14-16-13(15-12-6-2-5-9-18(12)14)20-11-10-17-7-3-1-4-8-17/h2,5-6,9H,1,3-4,7-8,10-11H2
InChIKeyBJRMUKPAVKHEJI-UHFFFAOYSA-N
XLogP1.67
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one (CID 7256655) is 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one is O=c1nc(SCCN2CCCCC2)nc2ccccn12.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is BJRMUKPAVKHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14-16-13(15-12-6-2-5-9-18(12)14)20-11-10-17-7-3-1-4-8-17/h2,5-6,9H,1,3-4,7-8,10-11H2.
What are the key properties of 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 290.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 7256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).