3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide

C10H11N5OS — CID 62806279

IUPAC3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C10H11N5OS/c1-17-7-4-2-3-6(5-7)12-9(16)8-13-10(11)15-14-8/h2-5H,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeyGUHBSTSGIIGDLN-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806279) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806279
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C10H11N5OS/c1-17-7-4-2-3-6(5-7)12-9(16)8-13-10(11)15-14-8/h2-5H,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeyGUHBSTSGIIGDLN-UHFFFAOYSA-N
XLogP1.36
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912
3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 64525790
3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806151
4-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63105759
3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806832
3-amino-N-[3-(2-methylpropoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808459
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
CID 62808434
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807351
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 62806279) is 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide is CSc1cccc(NC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GUHBSTSGIIGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-17-7-4-2-3-6(5-7)12-9(16)8-13-10(11)15-14-8/h2-5H,1H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).