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

C11H14N6O3S — CID 62807917

IUPAC3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(NC(=O)c2nc(N)n[nH]2)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H14N6O3S/c1-6-5-7(3-4-8(6)17-21(2,19)20)13-10(18)9-14-11(12)16-15-9/h3-5,17H,1-2H3,(H,13,18)(H3,12,14,15,16)
InChIKeyWRWJKMWXGLZBJI-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.32
Rot. Bonds4

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

3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807917) has the molecular formula C11H14N6O3S and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807917
Molecular FormulaC11H14N6O3S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC Name3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(NC(=O)c2nc(N)n[nH]2)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H14N6O3S/c1-6-5-7(3-4-8(6)17-21(2,19)20)13-10(18)9-14-11(12)16-15-9/h3-5,17H,1-2H3,(H,13,18)(H3,12,14,15,16)
InChIKeyWRWJKMWXGLZBJI-UHFFFAOYSA-N
XLogP0.32
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808092
3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62873358
3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806151
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808582
N-[4-(methanesulfonamido)-3-methylphenyl]but-2-enamide
CID 112727081
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62807917) is 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide is Cc1cc(NC(=O)c2nc(N)n[nH]2)ccc1NS(C)(=O)=O.
What is the InChIKey of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WRWJKMWXGLZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S/c1-6-5-7(3-4-8(6)17-21(2,19)20)13-10(18)9-14-11(12)16-15-9/h3-5,17H,1-2H3,(H,13,18)(H3,12,14,15,16).
What are the key properties of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).