1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione

C9H12N4O2 — CID 64530535

IUPAC1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1ncn[nH]1
InChIInChI=1S/C9H12N4O2/c14-8-2-1-3-9(15)13(8)5-4-7-10-6-11-12-7/h6H,1-5H2,(H,10,11,12)
InChIKeyLJHDHOGIFPCQCF-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.11
Rot. Bonds3

About 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione

1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione (PubChem CID 64530535) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione
PubChem CID64530535
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1ncn[nH]1
InChIInChI=1S/C9H12N4O2/c14-8-2-1-3-9(15)13(8)5-4-7-10-6-11-12-7/h6H,1-5H2,(H,10,11,12)
InChIKeyLJHDHOGIFPCQCF-UHFFFAOYSA-N
XLogP-0.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione (CID 64530535) is 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCc1ncn[nH]1.
What is the InChIKey of 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione?
The InChIKey is LJHDHOGIFPCQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-2-1-3-9(15)13(8)5-4-7-10-6-11-12-7/h6H,1-5H2,(H,10,11,12).
What are the key properties of 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione?
1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione has a molecular weight of 208.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 64530535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).