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

C10H11N5O2S — CID 114386899

IUPAC2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C10H11N5O2S/c1-7-3-2-4-8(11)9(7)18(16,17)15-10-12-5-6-13-14-10/h2-6H,11H2,1H3,(H,12,14,15)
InChIKeySMCKRAGNIOYJDE-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.56
Rot. Bonds3

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

2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114386899) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114386899
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C10H11N5O2S/c1-7-3-2-4-8(11)9(7)18(16,17)15-10-12-5-6-13-14-10/h2-6H,11H2,1H3,(H,12,14,15)
InChIKeySMCKRAGNIOYJDE-UHFFFAOYSA-N
XLogP0.56
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.56
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

3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386974
2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 43452486
3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386905
2-amino-N',N',6-trimethylbenzenesulfonohydrazide
CID 83013451
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 69387275
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389289
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114386899) is 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is SMCKRAGNIOYJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-7-3-2-4-8(11)9(7)18(16,17)15-10-12-5-6-13-14-10/h2-6H,11H2,1H3,(H,12,14,15).
What are the key properties of 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 265.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114386899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).