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

C11H21N5O2S — CID 114388299

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H21N5O2S/c1-4-9-10(5-2)14-15-11(13-9)16-19(17,18)8-7-12-6-3/h12H,4-8H2,1-3H3,(H,13,15,16)
InChIKeyHVAFCRTVOOURPU-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.35
Rot. Bonds8

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

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide (PubChem CID 114388299) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide
PubChem CID114388299
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H21N5O2S/c1-4-9-10(5-2)14-15-11(13-9)16-19(17,18)8-7-12-6-3/h12H,4-8H2,1-3H3,(H,13,15,16)
InChIKeyHVAFCRTVOOURPU-UHFFFAOYSA-N
XLogP0.35
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.35
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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Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide (CID 114388299) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1nnc(CC)c(CC)n1.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is HVAFCRTVOOURPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-9-10(5-2)14-15-11(13-9)16-19(17,18)8-7-12-6-3/h12H,4-8H2,1-3H3,(H,13,15,16).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.35, 8 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-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 114388299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).