4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide

C14H11F3N6O4 — CID 155903286

IUPAC4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2ccc(-c3n[nH]nc3C(F)(F)F)cc2)C(O)N1
InChIInChI=1S/C14H11F3N6O4/c15-14(16,17)9-8(21-23-22-9)5-1-3-6(4-2-5)18-10(24)7-11(25)19-13(27)20-12(7)26/h1-4,7,11,25H,(H,18,24)(H,21,22,23)(H2,19,20,26,27)
InChIKeyWIHAUTYTMHMLNO-UHFFFAOYSA-N
MW384.27 g/mol
LogP0.20
Rot. Bonds3

About 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide

4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide (PubChem CID 155903286) has the molecular formula C14H11F3N6O4 and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide
PubChem CID155903286
Molecular FormulaC14H11F3N6O4
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC Name4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2ccc(-c3n[nH]nc3C(F)(F)F)cc2)C(O)N1
InChIInChI=1S/C14H11F3N6O4/c15-14(16,17)9-8(21-23-22-9)5-1-3-6(4-2-5)18-10(24)7-11(25)19-13(27)20-12(7)26/h1-4,7,11,25H,(H,18,24)(H,21,22,23)(H2,19,20,26,27)
InChIKeyWIHAUTYTMHMLNO-UHFFFAOYSA-N
XLogP0.20
TPSA149.10 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 50.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
CID 155903294
4-hydroxy-2,6-dioxo-N-[3-(2H-triazol-4-yl)phenyl]-1,3-diazinane-5-carboxamide
CID 155903283
N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
CID 139509999
N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439082
4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 139526306
(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177965
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2937951
2-(dimethylamino)-N-[4-[(4R)-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 141182507
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
[(2S)-1-[4-[5-[4-[[(2S)-2-(carboxyamino)propanoyl]amino]phenyl]-2H-triazol-4-yl]anilino]-1-oxopropan-2-yl]carbamic acid
CID 89465242
N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 70518956

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide?
The IUPAC name of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide (CID 155903286) is 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide is O=C1NC(=O)C(C(=O)Nc2ccc(-c3n[nH]nc3C(F)(F)F)cc2)C(O)N1.
What is the InChIKey of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide?
The InChIKey is WIHAUTYTMHMLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O4/c15-14(16,17)9-8(21-23-22-9)5-1-3-6(4-2-5)18-10(24)7-11(25)19-13(27)20-12(7)26/h1-4,7,11,25H,(H,18,24)(H,21,22,23)(H2,19,20,26,27).
What are the key properties of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide?
4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide has a molecular weight of 384.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 155903286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).