2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide

C10H12N6O2S — CID 114389289

IUPAC2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C10H12N6O2S/c1-2-11-9-8(4-3-5-12-9)19(17,18)16-10-13-6-7-14-15-10/h3-7H,2H2,1H3,(H,11,12)(H,13,15,16)
InChIKeyOACGFYVTYPBFSB-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.50
Rot. Bonds5

About 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide

2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide (PubChem CID 114389289) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
PubChem CID114389289
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C10H12N6O2S/c1-2-11-9-8(4-3-5-12-9)19(17,18)16-10-13-6-7-14-15-10/h3-7H,2H2,1H3,(H,11,12)(H,13,15,16)
InChIKeyOACGFYVTYPBFSB-UHFFFAOYSA-N
XLogP0.50
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)pyridine-3-Sulfonamide
CID 46179030
N-ethyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267927
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
CID 44621440
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylpyridine-3-sulfonamide
CID 44621447
US9156811, Ddd87757
CID 57395296
US9156811, Ddd86298
CID 57397062
US9156811, Ddd86301
CID 57397063
US9156811, Ddd88000
CID 57398842
US9156811, Ddd88008
CID 57398843
US9156811, Ddd85627
CID 57402325
US9156811, Ddd86305
CID 57404042

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide (CID 114389289) is 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide?
The InChIKey is OACGFYVTYPBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-2-11-9-8(4-3-5-12-9)19(17,18)16-10-13-6-7-14-15-10/h3-7H,2H2,1H3,(H,11,12)(H,13,15,16).
What are the key properties of 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide?
2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114389289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).