[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate

C7H7N5O3 — CID 175067339

IUPAC[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate
SMILESCC(=O)On1cnc(-c2noc(C)n2)n1
InChIInChI=1S/C7H7N5O3/c1-4-9-7(11-14-4)6-8-3-12(10-6)15-5(2)13/h3H,1-2H3
InChIKeyTYPCFLHLRCOTPU-UHFFFAOYSA-N
MW209.16 g/mol
LogP-0.39
Rot. Bonds2

About [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate

[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate (PubChem CID 175067339) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate.

Molecular Properties

Compound Name[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate
PubChem CID175067339
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Name[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate
SMILESCC(=O)On1cnc(-c2noc(C)n2)n1
InChIInChI=1S/C7H7N5O3/c1-4-9-7(11-14-4)6-8-3-12(10-6)15-5(2)13/h3H,1-2H3
InChIKeyTYPCFLHLRCOTPU-UHFFFAOYSA-N
XLogP-0.39
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate?
The IUPAC name of [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate (CID 175067339) is [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate.
What is the SMILES notation for [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate?
The canonical SMILES for [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate is CC(=O)On1cnc(-c2noc(C)n2)n1.
What is the InChIKey of [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate?
The InChIKey is TYPCFLHLRCOTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c1-4-9-7(11-14-4)6-8-3-12(10-6)15-5(2)13/h3H,1-2H3.
What are the key properties of [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate?
[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate has a molecular weight of 209.16 g/mol, XLogP of -0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate is sourced from PubChem (CID 175067339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).