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

C7H12N4O — CID 28808821

IUPAC2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1nnc(N2CCNCC2)o1
InChIInChI=1S/C7H12N4O/c1-6-9-10-7(12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeySKNLWDYBDCYYCX-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.21
Rot. Bonds1

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

2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 28808821) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID28808821
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1nnc(N2CCNCC2)o1
InChIInChI=1S/C7H12N4O/c1-6-9-10-7(12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeySKNLWDYBDCYYCX-UHFFFAOYSA-N
XLogP-0.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole (CID 28808821) is 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole is Cc1nnc(N2CCNCC2)o1.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is SKNLWDYBDCYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-6-9-10-7(12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3.
What are the key properties of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole?
2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 168.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).