1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone

C7H7N5O2 — CID 130566968

IUPAC1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2ncon2)nn1
InChIInChI=1S/C7H7N5O2/c1-5(13)6-2-12(11-9-6)3-7-8-4-14-10-7/h2,4H,3H2,1H3
InChIKeyFWSTZWJNSVZRHZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.09
Rot. Bonds3

About 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone

1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone (PubChem CID 130566968) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone
PubChem CID130566968
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2ncon2)nn1
InChIInChI=1S/C7H7N5O2/c1-5(13)6-2-12(11-9-6)3-7-8-4-14-10-7/h2,4H,3H2,1H3
InChIKeyFWSTZWJNSVZRHZ-UHFFFAOYSA-N
XLogP-0.09
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone?
The IUPAC name of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone (CID 130566968) is 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone is CC(=O)c1cn(Cc2ncon2)nn1.
What is the InChIKey of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone?
The InChIKey is FWSTZWJNSVZRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-5(13)6-2-12(11-9-6)3-7-8-4-14-10-7/h2,4H,3H2,1H3.
What are the key properties of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone?
1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone has a molecular weight of 193.17 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone is sourced from PubChem (CID 130566968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).