N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide

C11H21N5O2S — CID 102677387

IUPACN-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide
SMILESCCc1nnc(NCCCNS(C)(=O)=O)nc1CC
InChIInChI=1S/C11H21N5O2S/c1-4-9-10(5-2)15-16-11(14-9)12-7-6-8-13-19(3,17)18/h13H,4-8H2,1-3H3,(H,12,14,16)
InChIKeyUICUFEMCFYSFEZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.35
Rot. Bonds8

About N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide

N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide (PubChem CID 102677387) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide
PubChem CID102677387
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide
SMILESCCc1nnc(NCCCNS(C)(=O)=O)nc1CC
InChIInChI=1S/C11H21N5O2S/c1-4-9-10(5-2)15-16-11(14-9)12-7-6-8-13-19(3,17)18/h13H,4-8H2,1-3H3,(H,12,14,16)
InChIKeyUICUFEMCFYSFEZ-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-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide (CID 102677387) is N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide is CCc1nnc(NCCCNS(C)(=O)=O)nc1CC.
What is the InChIKey of N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide?
The InChIKey is UICUFEMCFYSFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-9-10(5-2)15-16-11(14-9)12-7-6-8-13-19(3,17)18/h13H,4-8H2,1-3H3,(H,12,14,16).
What are the key properties of N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide?
N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide 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-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 102677387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).