3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole

C7H12N4O — CID 14742608

IUPAC3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole
SMILESCc1noc(C2CNCCN2)n1
InChIInChI=1S/C7H12N4O/c1-5-10-7(12-11-5)6-4-8-2-3-9-6/h6,8-9H,2-4H2,1H3
InChIKeyNJJCRGVTKJDUJV-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.39
Rot. Bonds1

About 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole

3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole (PubChem CID 14742608) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole
PubChem CID14742608
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole
SMILESCc1noc(C2CNCCN2)n1
InChIInChI=1S/C7H12N4O/c1-5-10-7(12-11-5)6-4-8-2-3-9-6/h6,8-9H,2-4H2,1H3
InChIKeyNJJCRGVTKJDUJV-UHFFFAOYSA-N
XLogP-0.39
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole (CID 14742608) is 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole is Cc1noc(C2CNCCN2)n1.
What is the InChIKey of 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole?
The InChIKey is NJJCRGVTKJDUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-10-7(12-11-5)6-4-8-2-3-9-6/h6,8-9H,2-4H2,1H3.
What are the key properties of 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole?
3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole has a molecular weight of 168.20 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 14742608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).