2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid

C5H8N4O4S — CID 131007644

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid
SMILESCn1cnnc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H8N4O4S/c1-9-3-6-7-5(9)8-14(12,13)2-4(10)11/h3H,2H2,1H3,(H,7,8)(H,10,11)
InChIKeyVGGXBVOVAWACLW-UHFFFAOYSA-N
MW220.21 g/mol
LogP-1.36
Rot. Bonds4

About 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid

2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid (PubChem CID 131007644) has the molecular formula C5H8N4O4S and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid
PubChem CID131007644
Molecular FormulaC5H8N4O4S
Molecular Weight220.21 g/mol
Exact Mass220.03
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid
SMILESCn1cnnc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H8N4O4S/c1-9-3-6-7-5(9)8-14(12,13)2-4(10)11/h3H,2H2,1H3,(H,7,8)(H,10,11)
InChIKeyVGGXBVOVAWACLW-UHFFFAOYSA-N
XLogP-1.36
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
CID 130993463
3-methyl-N-(4-methyl-1,2,4-triazol-3-yl)but-2-enamide
CID 131084608
2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 86796491
2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
CID 154865835
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 130645081
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
2-[(4-acetamidophenyl)sulfamoyl]acetic acid
CID 28774285
3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62119078
2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
CID 107571632
6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-oxohexanoic acid
CID 54895602
2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345060

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid (CID 131007644) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid is Cn1cnnc1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid?
The InChIKey is VGGXBVOVAWACLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O4S/c1-9-3-6-7-5(9)8-14(12,13)2-4(10)11/h3H,2H2,1H3,(H,7,8)(H,10,11).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid has a molecular weight of 220.21 g/mol, XLogP of -1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 131007644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).