3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C12H15N5O2S — CID 114386974

IUPAC3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nccnn2)c(C)c1N
InChIInChI=1S/C12H15N5O2S/c1-7-6-8(2)11(9(3)10(7)13)20(18,19)17-12-14-4-5-15-16-12/h4-6H,13H2,1-3H3,(H,14,16,17)
InChIKeyWZQRGMYHHPKEEF-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.18
Rot. Bonds3

About 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide

3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114386974) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114386974
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nccnn2)c(C)c1N
InChIInChI=1S/C12H15N5O2S/c1-7-6-8(2)11(9(3)10(7)13)20(18,19)17-12-14-4-5-15-16-12/h4-6H,13H2,1-3H3,(H,14,16,17)
InChIKeyWZQRGMYHHPKEEF-UHFFFAOYSA-N
XLogP1.18
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386899
3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386905
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 107641359
5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081921
2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683576
2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388868
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
5-bromo-4-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 114389150
3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 113469282
2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 69387275
2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389289
6-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389293

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114386974) is 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2nccnn2)c(C)c1N.
What is the InChIKey of 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is WZQRGMYHHPKEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7-6-8(2)11(9(3)10(7)13)20(18,19)17-12-14-4-5-15-16-12/h4-6H,13H2,1-3H3,(H,14,16,17).
What are the key properties of 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114386974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).