10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione

C16H11FN4O2 — CID 10979812

IUPAC10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
SMILESO=c1[nH]nc2n(Cc3ccc(F)cc3)c3ccccc3n2c1=O
InChIInChI=1S/C16H11FN4O2/c17-11-7-5-10(6-8-11)9-20-12-3-1-2-4-13(12)21-15(23)14(22)18-19-16(20)21/h1-8H,9H2,(H,18,22)
InChIKeyJXJSSLQHRUVSEN-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.52
Rot. Bonds2

About 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione

10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione (PubChem CID 10979812) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione.

Molecular Properties

Compound Name10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
PubChem CID10979812
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
SMILESO=c1[nH]nc2n(Cc3ccc(F)cc3)c3ccccc3n2c1=O
InChIInChI=1S/C16H11FN4O2/c17-11-7-5-10(6-8-11)9-20-12-3-1-2-4-13(12)21-15(23)14(22)18-19-16(20)21/h1-8H,9H2,(H,18,22)
InChIKeyJXJSSLQHRUVSEN-UHFFFAOYSA-N
XLogP1.52
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione 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

10-(3-hydroxypropyl)-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
CID 172914405
4-benzyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
CID 1243921
4-[(4-chlorophenyl)methyl]-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
CID 141384758
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 21081957
2-amino-1-[(4-fluorophenyl)methyl]indazol-3-one
CID 152503994
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile
CID 58799228
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22516375
2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole
CID 3281057
10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
CID 44631621
1-(5-chloro-2-hydroxyphenyl)-4-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 135810206
4-[(4-fluorophenyl)methyl]-1-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 46298524

Frequently Asked Questions

What is the IUPAC name of 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione?
The IUPAC name of 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione (CID 10979812) is 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione.
What is the SMILES notation for 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione?
The canonical SMILES for 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione is O=c1[nH]nc2n(Cc3ccc(F)cc3)c3ccccc3n2c1=O.
What is the InChIKey of 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione?
The InChIKey is JXJSSLQHRUVSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-11-7-5-10(6-8-11)9-20-12-3-1-2-4-13(12)21-15(23)14(22)18-19-16(20)21/h1-8H,9H2,(H,18,22).
What are the key properties of 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione?
10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione has a molecular weight of 310.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione is sourced from PubChem (CID 10979812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).