1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide

C6H7N5O2S — CID 114387990

IUPAC1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C6H7N5O2S/c1-5(4-7)14(12,13)11-6-8-2-3-9-10-6/h2-3,5H,1H3,(H,8,10,11)
InChIKeyRZRGTWPUANUOIH-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.47
Rot. Bonds3

About 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide

1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide (PubChem CID 114387990) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
PubChem CID114387990
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C6H7N5O2S/c1-5(4-7)14(12,13)11-6-8-2-3-9-10-6/h2-3,5H,1H3,(H,8,10,11)
InChIKeyRZRGTWPUANUOIH-UHFFFAOYSA-N
XLogP-0.47
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid
CID 114387079
1-cyano-N-pyridazin-3-ylethanesulfonamide
CID 116787093
3-chloro-2-methyl-N-(1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389018
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
CID 103098247
3-amino-2-methyl-3-sulfanylidene-N-(1,2,4-triazin-3-yl)propanamide
CID 114388038
3-(1-cyanoethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740574
1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide
CID 104620948
2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide
CID 107652546
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982
3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386974

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide (CID 114387990) is 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide is CC(C#N)S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
The InChIKey is RZRGTWPUANUOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c1-5(4-7)14(12,13)11-6-8-2-3-9-10-6/h2-3,5H,1H3,(H,8,10,11).
What are the key properties of 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide has a molecular weight of 213.22 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 114387990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).