5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine

C8H12N4O — CID 103436822

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2CC3CCC2C3)o1
InChIInChI=1S/C8H12N4O/c9-7-10-11-8(13-7)12-4-5-1-2-6(12)3-5/h5-6H,1-4H2,(H2,9,10)
InChIKeyUQJUOTVUUKPGKW-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.64
Rot. Bonds1

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine

5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 103436822) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID103436822
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2CC3CCC2C3)o1
InChIInChI=1S/C8H12N4O/c9-7-10-11-8(13-7)12-4-5-1-2-6(12)3-5/h5-6H,1-4H2,(H2,9,10)
InChIKeyUQJUOTVUUKPGKW-UHFFFAOYSA-N
XLogP0.64
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine (CID 103436822) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(N2CC3CCC2C3)o1.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UQJUOTVUUKPGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7-10-11-8(13-7)12-4-5-1-2-6(12)3-5/h5-6H,1-4H2,(H2,9,10).
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 180.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 103436822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).