N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide

C12H23N5O2S — CID 106084293

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C12H23N5O2S/c1-4-7-13-8-9-20(18,19)17-12-14-10(5-2)11(6-3)15-16-12/h13H,4-9H2,1-3H3,(H,14,16,17)
InChIKeyRHBGFZPBKYNDOA-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.74
Rot. Bonds9

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide (PubChem CID 106084293) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide
PubChem CID106084293
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C12H23N5O2S/c1-4-7-13-8-9-20(18,19)17-12-14-10(5-2)11(6-3)15-16-12/h13H,4-9H2,1-3H3,(H,14,16,17)
InChIKeyRHBGFZPBKYNDOA-UHFFFAOYSA-N
XLogP0.74
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(methylamino)ethanesulfonamide
CID 114388302
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
2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
CID 114387378
N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388862
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
CID 106056316
5,6-diethyl-N-(2-methylpentan-2-yl)-1,2,4-triazin-3-amine
CID 105362826
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide (CID 106084293) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)Nc1nnc(CC)c(CC)n1.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide?
The InChIKey is RHBGFZPBKYNDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-4-7-13-8-9-20(18,19)17-12-14-10(5-2)11(6-3)15-16-12/h13H,4-9H2,1-3H3,(H,14,16,17).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.74, 9 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)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106084293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).