1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione

C8H10N4O2 — CID 60975202

IUPAC1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ncn[nH]1
InChIInChI=1S/C8H10N4O2/c13-7-2-1-3-8(14)12(7)4-6-9-5-10-11-6/h5H,1-4H2,(H,9,10,11)
InChIKeyVVGRTKDYIDQLQE-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.16
Rot. Bonds2

About 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione

1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione (PubChem CID 60975202) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
PubChem CID60975202
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ncn[nH]1
InChIInChI=1S/C8H10N4O2/c13-7-2-1-3-8(14)12(7)4-6-9-5-10-11-6/h5H,1-4H2,(H,9,10,11)
InChIKeyVVGRTKDYIDQLQE-UHFFFAOYSA-N
XLogP-0.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.16
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-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione (CID 60975202) is 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione is O=C1CCCC(=O)N1Cc1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
The InChIKey is VVGRTKDYIDQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-7-2-1-3-8(14)12(7)4-6-9-5-10-11-6/h5H,1-4H2,(H,9,10,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione has a molecular weight of 194.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione is sourced from PubChem (CID 60975202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).