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

C10H19N5O2S — CID 106082964

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H19N5O2S/c1-8-9(2)13-14-10(12-8)15-18(16,17)7-5-4-6-11-3/h11H,4-7H2,1-3H3,(H,12,14,15)
InChIKeySBVKXDNPKDGJAC-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.23
Rot. Bonds7

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

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106082964) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106082964
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H19N5O2S/c1-8-9(2)13-14-10(12-8)15-18(16,17)7-5-4-6-11-3/h11H,4-7H2,1-3H3,(H,12,14,15)
InChIKeySBVKXDNPKDGJAC-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
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-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide (CID 106082964) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is SBVKXDNPKDGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8-9(2)13-14-10(12-8)15-18(16,17)7-5-4-6-11-3/h11H,4-7H2,1-3H3,(H,12,14,15).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.23, 7 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-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106082964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).