3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine

C11H15N6O+ — CID 54199068

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine
SMILESNc1c[n+](N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C11H15N6O/c12-10-9-17(14-18-10)16-7-5-15(6-8-16)11-3-1-2-4-13-11/h1-4,9H,5-8,12H2/q+1
InChIKeyPNXYFBLBRXHARD-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.60
Rot. Bonds2

About 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine

3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine (PubChem CID 54199068) has the molecular formula C11H15N6O+ and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine
PubChem CID54199068
Molecular FormulaC11H15N6O+
Molecular Weight247.28 g/mol
Exact Mass247.13
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine
SMILESNc1c[n+](N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C11H15N6O/c12-10-9-17(14-18-10)16-7-5-15(6-8-16)11-3-1-2-4-13-11/h1-4,9H,5-8,12H2/q+1
InChIKeyPNXYFBLBRXHARD-UHFFFAOYSA-N
XLogP-0.60
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine
CID 123973526
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78910390
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
CID 86818361

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine (CID 54199068) is 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine is Nc1c[n+](N2CCN(c3ccccn3)CC2)no1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine?
The InChIKey is PNXYFBLBRXHARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N6O/c12-10-9-17(14-18-10)16-7-5-15(6-8-16)11-3-1-2-4-13-11/h1-4,9H,5-8,12H2/q+1.
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine?
3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine has a molecular weight of 247.28 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine is sourced from PubChem (CID 54199068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).