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

C12H19N5O2 — CID 62935781

IUPAC2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2n(c1=O)CCCC2)N1CCNCC1
InChIInChI=1S/C12H19N5O2/c18-11(15-7-4-13-5-8-15)9-17-12(19)16-6-2-1-3-10(16)14-17/h13H,1-9H2
InChIKeyHYZWPACECRBZGV-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.19
Rot. Bonds2

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

2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62935781) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62935781
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2n(c1=O)CCCC2)N1CCNCC1
InChIInChI=1S/C12H19N5O2/c18-11(15-7-4-13-5-8-15)9-17-12(19)16-6-2-1-3-10(16)14-17/h13H,1-9H2
InChIKeyHYZWPACECRBZGV-UHFFFAOYSA-N
XLogP-1.19
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 ≤ 5-1.19
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-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62935781) is 2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(Cn1nc2n(c1=O)CCCC2)N1CCNCC1.
What is the InChIKey of 2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is HYZWPACECRBZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-11(15-7-4-13-5-8-15)9-17-12(19)16-6-2-1-3-10(16)14-17/h13H,1-9H2.
What are the key properties of 2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 265.32 g/mol, XLogP of -1.19, 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-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62935781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).