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

C13H25N5O2S — CID 105362475

IUPACN-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCc1nnc(NCCCN(CC)S(C)(=O)=O)nc1CC
InChIInChI=1S/C13H25N5O2S/c1-5-11-12(6-2)16-17-13(15-11)14-9-8-10-18(7-3)21(4,19)20/h5-10H2,1-4H3,(H,14,15,17)
InChIKeyPQNFYOJUJXATFZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.08
Rot. Bonds9

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

N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide (PubChem CID 105362475) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide
PubChem CID105362475
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCc1nnc(NCCCN(CC)S(C)(=O)=O)nc1CC
InChIInChI=1S/C13H25N5O2S/c1-5-11-12(6-2)16-17-13(15-11)14-9-8-10-18(7-3)21(4,19)20/h5-10H2,1-4H3,(H,14,15,17)
InChIKeyPQNFYOJUJXATFZ-UHFFFAOYSA-N
XLogP1.08
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
N-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
CID 105362032
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 115974608
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 55112617

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide (CID 105362475) is N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide is CCc1nnc(NCCCN(CC)S(C)(=O)=O)nc1CC.
What is the InChIKey of N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is PQNFYOJUJXATFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-5-11-12(6-2)16-17-13(15-11)14-9-8-10-18(7-3)21(4,19)20/h5-10H2,1-4H3,(H,14,15,17).
What are the key properties of N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide?
N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 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]-N-ethylmethanesulfonamide is sourced from PubChem (CID 105362475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).