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

C8H11N5O — CID 146512432

IUPAC3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCc2n[nH]c(C)n2)n1
InChIInChI=1S/C8H11N5O/c1-5-9-7(12-11-5)3-4-8-10-6(2)13-14-8/h3-4H2,1-2H3,(H,9,11,12)
InChIKeyMDQXFHBKQBYMAT-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.59
Rot. Bonds3

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

3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 146512432) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
PubChem CID146512432
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCc2n[nH]c(C)n2)n1
InChIInChI=1S/C8H11N5O/c1-5-9-7(12-11-5)3-4-8-10-6(2)13-14-8/h3-4H2,1-2H3,(H,9,11,12)
InChIKeyMDQXFHBKQBYMAT-UHFFFAOYSA-N
XLogP0.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-Amino-1H-1,2,4-triazol-3-YL)ethyl]-5-propyl-1,2,4-oxadiazol-3-amine
CID 124212630
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 45818398
3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864318
5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 47155591
1-({5-[2-(3-chloro-1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-4-methylpiperazine
CID 56702570
2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole
CID 138703177
3-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethyl]-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 146200035
5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155478966
3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole
CID 155479064
5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 167249403
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 176066739
3-cyclohexyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 28908911

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole (CID 146512432) is 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole is Cc1noc(CCc2n[nH]c(C)n2)n1.
What is the InChIKey of 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is MDQXFHBKQBYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-9-7(12-11-5)3-4-8-10-6(2)13-14-8/h3-4H2,1-2H3,(H,9,11,12).
What are the key properties of 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 193.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146512432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).