3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C9H16N4O — CID 130871005

IUPAC3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CNCCN1C(C)c1ncon1
InChIInChI=1S/C9H16N4O/c1-7-5-10-3-4-13(7)8(2)9-11-6-14-12-9/h6-8,10H,3-5H2,1-2H3
InChIKeyHJRLEGSLBLPNHX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds2

About 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 130871005) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID130871005
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CNCCN1C(C)c1ncon1
InChIInChI=1S/C9H16N4O/c1-7-5-10-3-4-13(7)8(2)9-11-6-14-12-9/h6-8,10H,3-5H2,1-2H3
InChIKeyHJRLEGSLBLPNHX-UHFFFAOYSA-N
XLogP0.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 130871005) is 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CC1CNCCN1C(C)c1ncon1.
What is the InChIKey of 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is HJRLEGSLBLPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-5-10-3-4-13(7)8(2)9-11-6-14-12-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 130871005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).