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

C12H17N5O — CID 66272617

IUPAC2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCC2CCCNC2)nc2cnccn12
InChIInChI=1S/C12H17N5O/c18-12-16-7-5-14-9-11(16)15-17(12)6-3-10-2-1-4-13-8-10/h5,7,9-10,13H,1-4,6,8H2
InChIKeyKEGXOYRLQPWCQA-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.28
Rot. Bonds3

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

2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272617) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272617
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCC2CCCNC2)nc2cnccn12
InChIInChI=1S/C12H17N5O/c18-12-16-7-5-14-9-11(16)15-17(12)6-3-10-2-1-4-13-8-10/h5,7,9-10,13H,1-4,6,8H2
InChIKeyKEGXOYRLQPWCQA-UHFFFAOYSA-N
XLogP0.28
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272617) is 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCC2CCCNC2)nc2cnccn12.
What is the InChIKey of 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KEGXOYRLQPWCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-12-16-7-5-14-9-11(16)15-17(12)6-3-10-2-1-4-13-8-10/h5,7,9-10,13H,1-4,6,8H2.
What are the key properties of 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 247.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).