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

C17H20N4O3S — CID 53176218

IUPAC2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)cn12
InChIInChI=1S/C17H20N4O3S/c1-4-16-18-21(5-2)17(22)15-10-14(11-20(15)16)25(23,24)19-13-8-6-12(3)7-9-13/h6-11,19H,4-5H2,1-3H3
InChIKeyQPRXEPLVDVQGGF-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.19
Rot. Bonds5

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

2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176218) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound Name2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176218
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)cn12
InChIInChI=1S/C17H20N4O3S/c1-4-16-18-21(5-2)17(22)15-10-14(11-20(15)16)25(23,24)19-13-8-6-12(3)7-9-13/h6-11,19H,4-5H2,1-3H3
InChIKeyQPRXEPLVDVQGGF-UHFFFAOYSA-N
XLogP2.19
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176262
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
4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176163
N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175990
N-[(3,5-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176210
2-ethyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179650
4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176000
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176218) is 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)cn12.
What is the InChIKey of 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is QPRXEPLVDVQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-4-16-18-21(5-2)17(22)15-10-14(11-20(15)16)25(23,24)19-13-8-6-12(3)7-9-13/h6-11,19H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.19, 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-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).