2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C7H9N7O2S — CID 3276324

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCn1cnnc1SCC(=O)Nn1cn[nH]c1=O
InChIInChI=1S/C7H9N7O2S/c1-13-3-8-11-7(13)17-2-5(15)12-14-4-9-10-6(14)16/h3-4H,2H2,1H3,(H,10,16)(H,12,15)
InChIKeyGWPHEUPTIOTYPS-UHFFFAOYSA-N
MW255.26 g/mol
LogP-1.44
Rot. Bonds4

About 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 3276324) has the molecular formula C7H9N7O2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID3276324
Molecular FormulaC7H9N7O2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCn1cnnc1SCC(=O)Nn1cn[nH]c1=O
InChIInChI=1S/C7H9N7O2S/c1-13-3-8-11-7(13)17-2-5(15)12-14-4-9-10-6(14)16/h3-4H,2H2,1H3,(H,10,16)(H,12,15)
InChIKeyGWPHEUPTIOTYPS-UHFFFAOYSA-N
XLogP-1.44
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide with MolForge

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Related Compounds

2-((4-Methyl-4h-1,2,4-triazol-3-yl)thio)acetamide
CID 1510649
N-methyl-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 1490782
2-[(4-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1886682
2-(1H-1,2,4-Triazol-5-ylthio)acetic acid hydrazide
CID 1282456
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 3653967
N,N-dimethyl-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5092089
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide
CID 5149279
N'-acetyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7675458
N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 9379480
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylideneamino)acetamide
CID 17368678
2-(4H-1,2,4-triazol-3-ylthio)propanohydrazide
CID 20787464
(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide
CID 27059893

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 3276324) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is Cn1cnnc1SCC(=O)Nn1cn[nH]c1=O.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is GWPHEUPTIOTYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O2S/c1-13-3-8-11-7(13)17-2-5(15)12-14-4-9-10-6(14)16/h3-4H,2H2,1H3,(H,10,16)(H,12,15).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 255.26 g/mol, XLogP of -1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 3276324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).