3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione

C8H6N4O2 — CID 175968865

IUPAC3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc[nH]c(=O)n1-c1ccccn1
InChIInChI=1S/C8H6N4O2/c13-7-10-5-11-8(14)12(7)6-3-1-2-4-9-6/h1-5H,(H,10,11,13,14)
InChIKeyVIVNKIAAVJRJCZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.68
Rot. Bonds1

About 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione

3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione (PubChem CID 175968865) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione
PubChem CID175968865
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc[nH]c(=O)n1-c1ccccn1
InChIInChI=1S/C8H6N4O2/c13-7-10-5-11-8(14)12(7)6-3-1-2-4-9-6/h1-5H,(H,10,11,13,14)
InChIKeyVIVNKIAAVJRJCZ-UHFFFAOYSA-N
XLogP-0.68
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione (CID 175968865) is 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione is O=c1nc[nH]c(=O)n1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione?
The InChIKey is VIVNKIAAVJRJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-7-10-5-11-8(14)12(7)6-3-1-2-4-9-6/h1-5H,(H,10,11,13,14).
What are the key properties of 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione?
3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione has a molecular weight of 190.16 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 175968865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).