2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C17H19FN4O3S — CID 53176262

IUPAC2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn12
InChIInChI=1S/C17H19FN4O3S/c1-4-16-19-22(5-2)17(23)15-9-13(10-21(15)16)26(24,25)20-12-6-7-14(18)11(3)8-12/h6-10,20H,4-5H2,1-3H3
InChIKeyIQOFGUTXHDZLAD-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.33
Rot. Bonds5

About 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176262) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound Name2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176262
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn12
InChIInChI=1S/C17H19FN4O3S/c1-4-16-19-22(5-2)17(23)15-9-13(10-21(15)16)26(24,25)20-12-6-7-14(18)11(3)8-12/h6-10,20H,4-5H2,1-3H3
InChIKeyIQOFGUTXHDZLAD-UHFFFAOYSA-N
XLogP2.33
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide 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

N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176251
2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176218
N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176255
N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176107
2,4-diethyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 95103500
2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176237
5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide
CID 106056111
N-[(3,5-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176210
N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175990
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 15990432
2-ethyl-N-(2-fluorophenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175975
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176262) is 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn12.
What is the InChIKey of 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is IQOFGUTXHDZLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-4-16-19-22(5-2)17(23)15-9-13(10-21(15)16)26(24,25)20-12-6-7-14(18)11(3)8-12/h6-10,20H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).