1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

C8H15N5O — CID 130806084

IUPAC1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(N)c1nnc(C2CNCCN2)o1
InChIInChI=1S/C8H15N5O/c1-5(9)7-12-13-8(14-7)6-4-10-2-3-11-6/h5-6,10-11H,2-4,9H2,1H3
InChIKeyQBFMATFIIRKULM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.68
Rot. Bonds2

About 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 130806084) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID130806084
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(N)c1nnc(C2CNCCN2)o1
InChIInChI=1S/C8H15N5O/c1-5(9)7-12-13-8(14-7)6-4-10-2-3-11-6/h5-6,10-11H,2-4,9H2,1H3
InChIKeyQBFMATFIIRKULM-UHFFFAOYSA-N
XLogP-0.68
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 130806084) is 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is CC(N)c1nnc(C2CNCCN2)o1.
What is the InChIKey of 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is QBFMATFIIRKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(9)7-12-13-8(14-7)6-4-10-2-3-11-6/h5-6,10-11H,2-4,9H2,1H3.
What are the key properties of 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 197.24 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 130806084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).