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

C7H9N7OS — CID 3653967

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
SMILESCn1cnnc1SCC(=O)Nn1cnnc1
InChIInChI=1S/C7H9N7OS/c1-13-3-10-11-7(13)16-2-6(15)12-14-4-8-9-5-14/h3-5H,2H2,1H3,(H,12,15)
InChIKeyDEVMTTLXCFRGFQ-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.73
Rot. Bonds4

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 3653967) has the molecular formula C7H9N7OS and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID3653967
Molecular FormulaC7H9N7OS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
SMILESCn1cnnc1SCC(=O)Nn1cnnc1
InChIInChI=1S/C7H9N7OS/c1-13-3-10-11-7(13)16-2-6(15)12-14-4-8-9-5-14/h3-5H,2H2,1H3,(H,12,15)
InChIKeyDEVMTTLXCFRGFQ-UHFFFAOYSA-N
XLogP-0.73
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide (CID 3653967) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide is Cn1cnnc1SCC(=O)Nn1cnnc1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is DEVMTTLXCFRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7OS/c1-13-3-10-11-7(13)16-2-6(15)12-14-4-8-9-5-14/h3-5H,2H2,1H3,(H,12,15).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 239.26 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 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-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 3653967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).