N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C7H8N6O2S — CID 6492816

IUPACN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCc1nonc1NC(=O)CSc1cn[nH]n1
InChIInChI=1S/C7H8N6O2S/c1-4-7(12-15-11-4)9-5(14)3-16-6-2-8-13-10-6/h2H,3H2,1H3,(H,8,10,13)(H,9,12,14)
InChIKeyVVJWHRNHHJCJSJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.23
Rot. Bonds4

About N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6492816) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6492816
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCc1nonc1NC(=O)CSc1cn[nH]n1
InChIInChI=1S/C7H8N6O2S/c1-4-7(12-15-11-4)9-5(14)3-16-6-2-8-13-10-6/h2H,3H2,1H3,(H,8,10,13)(H,9,12,14)
InChIKeyVVJWHRNHHJCJSJ-UHFFFAOYSA-N
XLogP0.23
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6492816) is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is Cc1nonc1NC(=O)CSc1cn[nH]n1.
What is the InChIKey of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is VVJWHRNHHJCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c1-4-7(12-15-11-4)9-5(14)3-16-6-2-8-13-10-6/h2H,3H2,1H3,(H,8,10,13)(H,9,12,14).
What are the key properties of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 240.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6492816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).