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

C17H20N4O3S — CID 95103498

IUPAC4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(C)c(=O)c2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C17H20N4O3S/c1-4-16-18-20(3)17(22)15-10-14(11-21(15)16)25(23,24)19-12(2)13-8-6-5-7-9-13/h5-12,19H,4H2,1-3H3/t12-/m0/s1
InChIKeyRDVZDOOCBLUVFA-LBPRGKRZSA-N
MW360.44 g/mol
LogP1.63
Rot. Bonds5

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

4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 95103498) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID95103498
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(C)c(=O)c2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C17H20N4O3S/c1-4-16-18-20(3)17(22)15-10-14(11-21(15)16)25(23,24)19-12(2)13-8-6-5-7-9-13/h5-12,19H,4H2,1-3H3/t12-/m0/s1
InChIKeyRDVZDOOCBLUVFA-LBPRGKRZSA-N
XLogP1.63
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 ≤ 51.63
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
2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176237
N-[(3,5-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176210
7-(4-benzylpiperidin-1-yl)sulfonyl-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 53176195
4-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 53176200
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 2937094
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
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
CID 60814855

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 95103498) is 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1nn(C)c(=O)c2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)cn12.
What is the InChIKey of 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is RDVZDOOCBLUVFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-4-16-18-20(3)17(22)15-10-14(11-21(15)16)25(23,24)19-12(2)13-8-6-5-7-9-13/h5-12,19H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 95103498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).