2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide

C6H11N5OS — CID 47158239

IUPAC2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(N)n1C
InChIInChI=1S/C6H11N5OS/c1-8-4(12)3-13-6-10-9-5(7)11(6)2/h3H2,1-2H3,(H2,7,9)(H,8,12)
InChIKeyZPVDZMKTGSLBJH-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.76
Rot. Bonds3

About 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide

2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide (PubChem CID 47158239) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
PubChem CID47158239
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(N)n1C
InChIInChI=1S/C6H11N5OS/c1-8-4(12)3-13-6-10-9-5(7)11(6)2/h3H2,1-2H3,(H2,7,9)(H,8,12)
InChIKeyZPVDZMKTGSLBJH-UHFFFAOYSA-N
XLogP-0.76
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-acetyl-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 61468986
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 1451146
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)acetamide
CID 61468133
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 61468169
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 60733718
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 47158205
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 60732904
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 54955754
ethyl 4-[[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate
CID 61468927
2-amino-3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 65442021
1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 61468039
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid
CID 61468082

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide (CID 47158239) is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide is CNC(=O)CSc1nnc(N)n1C.
What is the InChIKey of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The InChIKey is ZPVDZMKTGSLBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c1-8-4(12)3-13-6-10-9-5(7)11(6)2/h3H2,1-2H3,(H2,7,9)(H,8,12).
What are the key properties of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide has a molecular weight of 201.25 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 47158239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).