2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole

C7H9N5OS — CID 8707895

IUPAC2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nc(SCc2nnc(C)o2)n[nH]1
InChIInChI=1S/C7H9N5OS/c1-4-8-7(12-9-4)14-3-6-11-10-5(2)13-6/h3H2,1-2H3,(H,8,9,12)
InChIKeyKIZLKYBJQUDUHV-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.10
Rot. Bonds3

About 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 8707895) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID8707895
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nc(SCc2nnc(C)o2)n[nH]1
InChIInChI=1S/C7H9N5OS/c1-4-8-7(12-9-4)14-3-6-11-10-5(2)13-6/h3H2,1-2H3,(H,8,9,12)
InChIKeyKIZLKYBJQUDUHV-UHFFFAOYSA-N
XLogP1.10
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 8707895) is 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole is Cc1nc(SCc2nnc(C)o2)n[nH]1.
What is the InChIKey of 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is KIZLKYBJQUDUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-4-8-7(12-9-4)14-3-6-11-10-5(2)13-6/h3H2,1-2H3,(H,8,9,12).
What are the key properties of 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 211.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8707895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).