2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H16N6O — CID 66272185

IUPAC2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCN2CCNCC2)nc2cnccn12
InChIInChI=1S/C11H16N6O/c18-11-16-6-3-13-9-10(16)14-17(11)8-7-15-4-1-12-2-5-15/h3,6,9,12H,1-2,4-5,7-8H2
InChIKeyHMXZXGDLODLHBV-UHFFFAOYSA-N
MW248.29 g/mol
LogP-1.20
Rot. Bonds3

About 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272185) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272185
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCN2CCNCC2)nc2cnccn12
InChIInChI=1S/C11H16N6O/c18-11-16-6-3-13-9-10(16)14-17(11)8-7-15-4-1-12-2-5-15/h3,6,9,12H,1-2,4-5,7-8H2
InChIKeyHMXZXGDLODLHBV-UHFFFAOYSA-N
XLogP-1.20
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272185) is 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCN2CCNCC2)nc2cnccn12.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HMXZXGDLODLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c18-11-16-6-3-13-9-10(16)14-17(11)8-7-15-4-1-12-2-5-15/h3,6,9,12H,1-2,4-5,7-8H2.
What are the key properties of 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 248.29 g/mol, XLogP of -1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).