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

C10H19N5O2S — CID 114388302

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide
SMILESCCc1nnc(NS(=O)(=O)CCNC)nc1CC
InChIInChI=1S/C10H19N5O2S/c1-4-8-9(5-2)13-14-10(12-8)15-18(16,17)7-6-11-3/h11H,4-7H2,1-3H3,(H,12,14,15)
InChIKeyJZGLNDXMRXJCIP-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.04
Rot. Bonds7

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

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide (PubChem CID 114388302) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide
PubChem CID114388302
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide
SMILESCCc1nnc(NS(=O)(=O)CCNC)nc1CC
InChIInChI=1S/C10H19N5O2S/c1-4-8-9(5-2)13-14-10(12-8)15-18(16,17)7-6-11-3/h11H,4-7H2,1-3H3,(H,12,14,15)
InChIKeyJZGLNDXMRXJCIP-UHFFFAOYSA-N
XLogP-0.04
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.04
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-(ethylamino)ethanesulfonamide
CID 114388299
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide
CID 106084293
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-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide
CID 114386882
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide (CID 114388302) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide is CCc1nnc(NS(=O)(=O)CCNC)nc1CC.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide?
The InChIKey is JZGLNDXMRXJCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-4-8-9(5-2)13-14-10(12-8)15-18(16,17)7-6-11-3/h11H,4-7H2,1-3H3,(H,12,14,15).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.04, 7 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-(methylamino)ethanesulfonamide is sourced from PubChem (CID 114388302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).