N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide

C10H14N6O2S — CID 114388862

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cnc[nH]2)nc1CC
InChIInChI=1S/C10H14N6O2S/c1-3-7-8(4-2)14-15-10(13-7)16-19(17,18)9-5-11-6-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,16)
InChIKeyXLEODBXETXARKD-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.52
Rot. Bonds5

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide

N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide (PubChem CID 114388862) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
PubChem CID114388862
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cnc[nH]2)nc1CC
InChIInChI=1S/C10H14N6O2S/c1-3-7-8(4-2)14-15-10(13-7)16-19(17,18)9-5-11-6-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,16)
InChIKeyXLEODBXETXARKD-UHFFFAOYSA-N
XLogP0.52
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
CID 114387378
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
CID 112550104
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide
CID 114388302
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide
CID 114386882
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide
CID 114388299
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide
CID 106084293
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide
CID 114389012
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid
CID 79806947

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide (CID 114388862) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide is CCc1nnc(NS(=O)(=O)c2cnc[nH]2)nc1CC.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is XLEODBXETXARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-3-7-8(4-2)14-15-10(13-7)16-19(17,18)9-5-11-6-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,16).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114388862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).