1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione

C10H6F3N3O3 — CID 112598156

IUPAC1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)6-2-1-5(4-14-6)16-8(18)3-7(17)15-9(16)19/h1-2,4H,3H2,(H,15,17,19)
InChIKeyBVGHILNTGDGPAU-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.07
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione

1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione (PubChem CID 112598156) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione
PubChem CID112598156
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)6-2-1-5(4-14-6)16-8(18)3-7(17)15-9(16)19/h1-2,4H,3H2,(H,15,17,19)
InChIKeyBVGHILNTGDGPAU-UHFFFAOYSA-N
XLogP1.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione (CID 112598156) is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(c2ccc(C(F)(F)F)nc2)C(=O)N1.
What is the InChIKey of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is BVGHILNTGDGPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)6-2-1-5(4-14-6)16-8(18)3-7(17)15-9(16)19/h1-2,4H,3H2,(H,15,17,19).
What are the key properties of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione?
1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 273.17 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).