5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one

C12H12F3N3O3 — CID 3236877

IUPAC5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccncc2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C12H12F3N3O3/c1-6(19)8-9(7-2-4-16-5-3-7)17-10(20)18-11(8,21)12(13,14)15/h2-5,8-9,21H,1H3,(H2,17,18,20)
InChIKeyQOZFGMFRFZUXQD-UHFFFAOYSA-N
MW303.24 g/mol
LogP0.89
Rot. Bonds2

About 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one

5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 3236877) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID3236877
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccncc2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C12H12F3N3O3/c1-6(19)8-9(7-2-4-16-5-3-7)17-10(20)18-11(8,21)12(13,14)15/h2-5,8-9,21H,1H3,(H2,17,18,20)
InChIKeyQOZFGMFRFZUXQD-UHFFFAOYSA-N
XLogP0.89
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 3236877) is 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one is CC(=O)C1C(c2ccncc2)NC(=O)NC1(O)C(F)(F)F.
What is the InChIKey of 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is QOZFGMFRFZUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c1-6(19)8-9(7-2-4-16-5-3-7)17-10(20)18-11(8,21)12(13,14)15/h2-5,8-9,21H,1H3,(H2,17,18,20).
What are the key properties of 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 303.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3236877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).