5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine

C9H16N4O — CID 106964971

IUPAC5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(Nc2nnc(CCN)o2)C1
InChIInChI=1S/C9H16N4O/c1-6-4-7(5-6)11-9-13-12-8(14-9)2-3-10/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyBJTPKBCAEVSPCL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds4

About 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964971) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964971
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(Nc2nnc(CCN)o2)C1
InChIInChI=1S/C9H16N4O/c1-6-4-7(5-6)11-9-13-12-8(14-9)2-3-10/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyBJTPKBCAEVSPCL-UHFFFAOYSA-N
XLogP0.78
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-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 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine (CID 106964971) is 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine is CC1CC(Nc2nnc(CCN)o2)C1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BJTPKBCAEVSPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-4-7(5-6)11-9-13-12-8(14-9)2-3-10/h6-7H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).