2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H19N5O2 — CID 66278817

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1nc2n(c1=O)CCNC2)N1CCCCC1
InChIInChI=1S/C12H19N5O2/c18-11(15-5-2-1-3-6-15)9-17-12(19)16-7-4-13-8-10(16)14-17/h13H,1-9H2
InChIKeyOQPHXBPAPJJPMA-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.84
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66278817) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66278817
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1nc2n(c1=O)CCNC2)N1CCCCC1
InChIInChI=1S/C12H19N5O2/c18-11(15-5-2-1-3-6-15)9-17-12(19)16-7-4-13-8-10(16)14-17/h13H,1-9H2
InChIKeyOQPHXBPAPJJPMA-UHFFFAOYSA-N
XLogP-0.84
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66278817) is 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(Cn1nc2n(c1=O)CCNC2)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is OQPHXBPAPJJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-11(15-5-2-1-3-6-15)9-17-12(19)16-7-4-13-8-10(16)14-17/h13H,1-9H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 265.32 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66278817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).