N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C17H20N4O3S — CID 53176107

IUPACN-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCn1nc(C)n2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2c1=O
InChIInChI=1S/C17H20N4O3S/c1-5-21-17(22)16-9-15(10-20(16)13(4)18-21)25(23,24)19-14-7-6-11(2)12(3)8-14/h6-10,19H,5H2,1-4H3
InChIKeyVOYKMZFGLPVECG-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.24
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176107) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176107
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCn1nc(C)n2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2c1=O
InChIInChI=1S/C17H20N4O3S/c1-5-21-17(22)16-9-15(10-20(16)13(4)18-21)25(23,24)19-14-7-6-11(2)12(3)8-14/h6-10,19H,5H2,1-4H3
InChIKeyVOYKMZFGLPVECG-UHFFFAOYSA-N
XLogP2.24
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176262
2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176218
N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176251
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-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179662
N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175990
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
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20914056
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059
4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176000

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176107) is N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCn1nc(C)n2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2c1=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is VOYKMZFGLPVECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-5-21-17(22)16-9-15(10-20(16)13(4)18-21)25(23,24)19-14-7-6-11(2)12(3)8-14/h6-10,19H,5H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).