3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine

C9H14N4O — CID 134516010

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCc1nnc(N2CC3CC(C2)C3N)o1
InChIInChI=1S/C9H14N4O/c1-5-11-12-9(14-5)13-3-6-2-7(4-13)8(6)10/h6-8H,2-4,10H2,1H3
InChIKeyAOCIONAEHOZABI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.16
Rot. Bonds1

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 134516010) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID134516010
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCc1nnc(N2CC3CC(C2)C3N)o1
InChIInChI=1S/C9H14N4O/c1-5-11-12-9(14-5)13-3-6-2-7(4-13)8(6)10/h6-8H,2-4,10H2,1H3
InChIKeyAOCIONAEHOZABI-UHFFFAOYSA-N
XLogP0.16
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine (CID 134516010) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine is Cc1nnc(N2CC3CC(C2)C3N)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is AOCIONAEHOZABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5-11-12-9(14-5)13-3-6-2-7(4-13)8(6)10/h6-8H,2-4,10H2,1H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 194.24 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 134516010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).