2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C18H22N4O3S — CID 53176237

IUPAC2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)NC(C)c3ccccc3)cn12
InChIInChI=1S/C18H22N4O3S/c1-4-17-19-22(5-2)18(23)16-11-15(12-21(16)17)26(24,25)20-13(3)14-9-7-6-8-10-14/h6-13,20H,4-5H2,1-3H3
InChIKeyYDCAPFHIGCDBJI-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.12
Rot. Bonds6

About 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176237) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound Name2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176237
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)NC(C)c3ccccc3)cn12
InChIInChI=1S/C18H22N4O3S/c1-4-17-19-22(5-2)18(23)16-11-15(12-21(16)17)26(24,25)20-13(3)14-9-7-6-8-10-14/h6-13,20H,4-5H2,1-3H3
InChIKeyYDCAPFHIGCDBJI-UHFFFAOYSA-N
XLogP2.12
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diethyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 95103500
4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 95103498
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-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
N-[(3,5-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176210
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176237) is 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1nn(CC)c(=O)c2cc(S(=O)(=O)NC(C)c3ccccc3)cn12.
What is the InChIKey of 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is YDCAPFHIGCDBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-4-17-19-22(5-2)18(23)16-11-15(12-21(16)17)26(24,25)20-13(3)14-9-7-6-8-10-14/h6-13,20H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).