5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine

C8H15N5O — CID 14742616

IUPAC5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCN1CCN(C)C(c2nc(N)no2)C1
InChIInChI=1S/C8H15N5O/c1-12-3-4-13(2)6(5-12)7-10-8(9)11-14-7/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyIGQMROXAHLRRFS-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.43
Rot. Bonds1

About 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine

5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 14742616) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine
PubChem CID14742616
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCN1CCN(C)C(c2nc(N)no2)C1
InChIInChI=1S/C8H15N5O/c1-12-3-4-13(2)6(5-12)7-10-8(9)11-14-7/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyIGQMROXAHLRRFS-UHFFFAOYSA-N
XLogP-0.43
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine (CID 14742616) is 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine is CN1CCN(C)C(c2nc(N)no2)C1.
What is the InChIKey of 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is IGQMROXAHLRRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-12-3-4-13(2)6(5-12)7-10-8(9)11-14-7/h6H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine?
5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 197.24 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 14742616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).