2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid

C6H10N4O5S — CID 104816689

IUPAC2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid
SMILESCCOc1n[nH]c(NS(=O)(=O)CC(=O)O)n1
InChIInChI=1S/C6H10N4O5S/c1-2-15-6-7-5(8-9-6)10-16(13,14)3-4(11)12/h2-3H2,1H3,(H,11,12)(H2,7,8,9,10)
InChIKeyHWKUGHQNDOCTDN-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.97
Rot. Bonds6

About 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid

2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid (PubChem CID 104816689) has the molecular formula C6H10N4O5S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid
PubChem CID104816689
Molecular FormulaC6H10N4O5S
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid
SMILESCCOc1n[nH]c(NS(=O)(=O)CC(=O)O)n1
InChIInChI=1S/C6H10N4O5S/c1-2-15-6-7-5(8-9-6)10-16(13,14)3-4(11)12/h2-3H2,1H3,(H,11,12)(H2,7,8,9,10)
InChIKeyHWKUGHQNDOCTDN-UHFFFAOYSA-N
XLogP-0.97
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 104818544
methyl 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]propanoate
CID 104818578
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide
CID 113456567
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-1-sulfonamide
CID 107858868
methyl 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl-methylamino]propanoate
CID 104816662
5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-methyl-5-oxopentanoic acid
CID 104816628
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
CID 104817634
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
CID 113456582
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 113456578
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylpiperidine-1-sulfonamide
CID 104818549

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid (CID 104816689) is 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid is CCOc1n[nH]c(NS(=O)(=O)CC(=O)O)n1.
What is the InChIKey of 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid?
The InChIKey is HWKUGHQNDOCTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O5S/c1-2-15-6-7-5(8-9-6)10-16(13,14)3-4(11)12/h2-3H2,1H3,(H,11,12)(H2,7,8,9,10).
What are the key properties of 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid?
2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid has a molecular weight of 250.24 g/mol, XLogP of -0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 104816689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).