2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid

C6H8N4O4S — CID 114387079

IUPAC2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C6H8N4O4S/c1-4(5(11)12)15(13,14)10-6-7-2-3-8-9-6/h2-4H,1H3,(H,11,12)(H,7,9,10)
InChIKeyJJKPJOMVKIVUFP-UHFFFAOYSA-N
MW232.22 g/mol
LogP-0.91
Rot. Bonds4

About 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid

2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid (PubChem CID 114387079) has the molecular formula C6H8N4O4S and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid
PubChem CID114387079
Molecular FormulaC6H8N4O4S
Molecular Weight232.22 g/mol
Exact Mass232.03
IUPAC Name2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C6H8N4O4S/c1-4(5(11)12)15(13,14)10-6-7-2-3-8-9-6/h2-4H,1H3,(H,11,12)(H,7,9,10)
InChIKeyJJKPJOMVKIVUFP-UHFFFAOYSA-N
XLogP-0.91
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
CID 114387990
2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid
CID 61454442
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
CID 114387858
4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387082
3-chloro-2-methyl-N-(1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389018
2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388868
3-amino-2-methyl-3-sulfanylidene-N-(1,2,4-triazin-3-yl)propanamide
CID 114388038
4-ethyl-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387125
3-methyl-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388772
4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571542
2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
CID 104617610

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid (CID 114387079) is 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid?
The InChIKey is JJKPJOMVKIVUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4S/c1-4(5(11)12)15(13,14)10-6-7-2-3-8-9-6/h2-4H,1H3,(H,11,12)(H,7,9,10).
What are the key properties of 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid?
2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid has a molecular weight of 232.22 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 114387079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).