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

C10H13N5OS — CID 24649757

IUPAC5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CSc2n[nH]c(C3CC3)n2)n1
InChIInChI=1S/C10H13N5OS/c1-2-7-11-8(16-15-7)5-17-10-12-9(13-14-10)6-3-4-6/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyWIOIRVZEOOQFLW-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.92
Rot. Bonds5

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

5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 24649757) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID24649757
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CSc2n[nH]c(C3CC3)n2)n1
InChIInChI=1S/C10H13N5OS/c1-2-7-11-8(16-15-7)5-17-10-12-9(13-14-10)6-3-4-6/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyWIOIRVZEOOQFLW-UHFFFAOYSA-N
XLogP1.92
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole (CID 24649757) is 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(CSc2n[nH]c(C3CC3)n2)n1.
What is the InChIKey of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is WIOIRVZEOOQFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-2-7-11-8(16-15-7)5-17-10-12-9(13-14-10)6-3-4-6/h6H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 251.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 24649757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).