2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide

C6H12N6O3S — CID 61016737

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
SMILESNc1ncn(CC(=O)NCCS(N)(=O)=O)n1
InChIInChI=1S/C6H12N6O3S/c7-6-10-4-12(11-6)3-5(13)9-1-2-16(8,14)15/h4H,1-3H2,(H2,7,11)(H,9,13)(H2,8,14,15)
InChIKeyISZGZYOUSNOAJY-UHFFFAOYSA-N
MW248.27 g/mol
LogP-2.73
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide (PubChem CID 61016737) has the molecular formula C6H12N6O3S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
PubChem CID61016737
Molecular FormulaC6H12N6O3S
Molecular Weight248.27 g/mol
Exact Mass248.07
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
SMILESNc1ncn(CC(=O)NCCS(N)(=O)=O)n1
InChIInChI=1S/C6H12N6O3S/c7-6-10-4-12(11-6)3-5(13)9-1-2-16(8,14)15/h4H,1-3H2,(H2,7,11)(H,9,13)(H2,8,14,15)
InChIKeyISZGZYOUSNOAJY-UHFFFAOYSA-N
XLogP-2.73
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-2.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425302
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-pyrazol-1-yl-N-(2-sulfamoylethyl)acetamide
CID 61066533
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177776
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
CID 106233336
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61241529
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033257
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849
1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid
CID 66288282
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 114171668
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 54902131

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide (CID 61016737) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide is Nc1ncn(CC(=O)NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide?
The InChIKey is ISZGZYOUSNOAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O3S/c7-6-10-4-12(11-6)3-5(13)9-1-2-16(8,14)15/h4H,1-3H2,(H2,7,11)(H,9,13)(H2,8,14,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide has a molecular weight of 248.27 g/mol, XLogP of -2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide is sourced from PubChem (CID 61016737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).