1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one

C8H13N5O — CID 130559424

IUPAC1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCn1cncn1
InChIInChI=1S/C8H13N5O/c14-8-5-9-1-2-12(8)3-4-13-7-10-6-11-13/h6-7,9H,1-5H2
InChIKeyMNYHAXMGCNOBKQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.29
Rot. Bonds3

About 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one

1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one (PubChem CID 130559424) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
PubChem CID130559424
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCn1cncn1
InChIInChI=1S/C8H13N5O/c14-8-5-9-1-2-12(8)3-4-13-7-10-6-11-13/h6-7,9H,1-5H2
InChIKeyMNYHAXMGCNOBKQ-UHFFFAOYSA-N
XLogP-1.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one (CID 130559424) is 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one is O=C1CNCCN1CCn1cncn1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The InChIKey is MNYHAXMGCNOBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c14-8-5-9-1-2-12(8)3-4-13-7-10-6-11-13/h6-7,9H,1-5H2.
What are the key properties of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one has a molecular weight of 195.23 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 130559424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).