5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole

C11H17N5OS — CID 75399493

IUPAC5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1c(C)nnc1CSC(C)c1nc(C)no1
InChIInChI=1S/C11H17N5OS/c1-5-16-9(4)13-14-10(16)6-18-7(2)11-12-8(3)15-17-11/h7H,5-6H2,1-4H3
InChIKeyUOHFTXIPQKZGFM-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.29
Rot. Bonds5

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

5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 75399493) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID75399493
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1c(C)nnc1CSC(C)c1nc(C)no1
InChIInChI=1S/C11H17N5OS/c1-5-16-9(4)13-14-10(16)6-18-7(2)11-12-8(3)15-17-11/h7H,5-6H2,1-4H3
InChIKeyUOHFTXIPQKZGFM-UHFFFAOYSA-N
XLogP2.29
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 75399494
3-methyl-5-[1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 47021827
3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 95579086
5-[(1R)-1-[(5-ethoxy-2-pyridinyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 97228289
N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 75434086
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
CID 51088829
5-[(1S)-1-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95761662
5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 60540937
5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 126766182
6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 94644518
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 75399493) is 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole is CCn1c(C)nnc1CSC(C)c1nc(C)no1.
What is the InChIKey of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is UOHFTXIPQKZGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-5-16-9(4)13-14-10(16)6-18-7(2)11-12-8(3)15-17-11/h7H,5-6H2,1-4H3.
What are the key properties of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 267.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75399493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).