4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione

C7H6N4O2 — CID 86812176

IUPAC4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1ccncc1
InChIInChI=1S/C7H6N4O2/c12-6-9-10-7(13)11(6)5-1-3-8-4-2-5/h1-4H,(H,9,12)(H,10,13)
InChIKeyGLLPTOIEZFIHHC-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.75
Rot. Bonds1

About 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione

4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione (PubChem CID 86812176) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
PubChem CID86812176
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1ccncc1
InChIInChI=1S/C7H6N4O2/c12-6-9-10-7(13)11(6)5-1-3-8-4-2-5/h1-4H,(H,9,12)(H,10,13)
InChIKeyGLLPTOIEZFIHHC-UHFFFAOYSA-N
XLogP-0.75
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione (CID 86812176) is 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione?
The InChIKey is GLLPTOIEZFIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-6-9-10-7(13)11(6)5-1-3-8-4-2-5/h1-4H,(H,9,12)(H,10,13).
What are the key properties of 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione?
4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione has a molecular weight of 178.15 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 86812176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).