3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C10H12N6O3S — CID 62806151

IUPAC3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C10H12N6O3S/c1-12-20(18,19)7-4-2-3-6(5-7)13-9(17)8-14-10(11)16-15-8/h2-5,12H,1H3,(H,13,17)(H3,11,14,15,16)
InChIKeyIXSVLHBYSGRFOJ-UHFFFAOYSA-N
MW296.31 g/mol
LogP-0.45
Rot. Bonds4

About 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806151) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806151
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C10H12N6O3S/c1-12-20(18,19)7-4-2-3-6(5-7)13-9(17)8-14-10(11)16-15-8/h2-5,12H,1H3,(H,13,17)(H3,11,14,15,16)
InChIKeyIXSVLHBYSGRFOJ-UHFFFAOYSA-N
XLogP-0.45
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808072
3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806832
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807917
3-amino-N-[3-(2-methylpropoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808459
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808092
3-amino-N-[4-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806146
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
N-[3-(methylsulfamoyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763936

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62806151) is 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is CNS(=O)(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is IXSVLHBYSGRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c1-12-20(18,19)7-4-2-3-6(5-7)13-9(17)8-14-10(11)16-15-8/h2-5,12H,1H3,(H,13,17)(H3,11,14,15,16).
What are the key properties of 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 296.31 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).