N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide

C11H21N5O2S — CID 106082963

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C11H21N5O2S/c1-4-12-7-5-6-8-19(17,18)16-11-13-9(2)10(3)14-15-11/h12H,4-8H2,1-3H3,(H,13,15,16)
InChIKeySIXFSIWIQLZVDN-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.62
Rot. Bonds8

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106082963) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106082963
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C11H21N5O2S/c1-4-12-7-5-6-8-19(17,18)16-11-13-9(2)10(3)14-15-11/h12H,4-8H2,1-3H3,(H,13,15,16)
InChIKeySIXFSIWIQLZVDN-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
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-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide (CID 106082963) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is SIXFSIWIQLZVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-12-7-5-6-8-19(17,18)16-11-13-9(2)10(3)14-15-11/h12H,4-8H2,1-3H3,(H,13,15,16).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106082963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).