5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine

C7H10N4O — CID 14742599

IUPAC5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2=CCCNC2)n1
InChIInChI=1S/C7H10N4O/c8-7-10-6(12-11-7)5-2-1-3-9-4-5/h2,9H,1,3-4H2,(H2,8,11)
InChIKeyPJPFVJQCBPPSNF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.03
Rot. Bonds1

About 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine

5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 14742599) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine
PubChem CID14742599
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2=CCCNC2)n1
InChIInChI=1S/C7H10N4O/c8-7-10-6(12-11-7)5-2-1-3-9-4-5/h2,9H,1,3-4H2,(H2,8,11)
InChIKeyPJPFVJQCBPPSNF-UHFFFAOYSA-N
XLogP0.03
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine (CID 14742599) is 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine is Nc1noc(C2=CCCNC2)n1.
What is the InChIKey of 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is PJPFVJQCBPPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-7-10-6(12-11-7)5-2-1-3-9-4-5/h2,9H,1,3-4H2,(H2,8,11).
What are the key properties of 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine?
5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 166.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 14742599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).