5-piperazin-2-yl-1,2,4-oxadiazol-3-amine

C6H11N5O — CID 14742609

IUPAC5-piperazin-2-yl-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2CNCCN2)n1
InChIInChI=1S/C6H11N5O/c7-6-10-5(12-11-6)4-3-8-1-2-9-4/h4,8-9H,1-3H2,(H2,7,11)
InChIKeyPZNDFGOGQSGMPH-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.11
Rot. Bonds1

About 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine

5-piperazin-2-yl-1,2,4-oxadiazol-3-amine (PubChem CID 14742609) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-piperazin-2-yl-1,2,4-oxadiazol-3-amine
PubChem CID14742609
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name5-piperazin-2-yl-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2CNCCN2)n1
InChIInChI=1S/C6H11N5O/c7-6-10-5(12-11-6)4-3-8-1-2-9-4/h4,8-9H,1-3H2,(H2,7,11)
InChIKeyPZNDFGOGQSGMPH-UHFFFAOYSA-N
XLogP-1.11
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine (CID 14742609) is 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine is Nc1noc(C2CNCCN2)n1.
What is the InChIKey of 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is PZNDFGOGQSGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c7-6-10-5(12-11-6)4-3-8-1-2-9-4/h4,8-9H,1-3H2,(H2,7,11).
What are the key properties of 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine?
5-piperazin-2-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 169.19 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-2-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 14742609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).