cyclobutylpentazolidine

C4H11N5 — CID 175094284

IUPACcyclobutylpentazolidine
SMILESC1CC(n2[nH][nH][nH][nH]2)C1
InChIInChI=1S/C4H11N5/c1-2-4(3-1)9-7-5-6-8-9/h4-8H,1-3H2
InChIKeyWEZUOOFRMBQHRB-UHFFFAOYSA-N
MW129.17 g/mol
LogP0.65
Rot. Bonds1

About cyclobutylpentazolidine

cyclobutylpentazolidine (PubChem CID 175094284) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is cyclobutylpentazolidine.

Molecular Properties

Compound Namecyclobutylpentazolidine
PubChem CID175094284
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Namecyclobutylpentazolidine
SMILESC1CC(n2[nH][nH][nH][nH]2)C1
InChIInChI=1S/C4H11N5/c1-2-4(3-1)9-7-5-6-8-9/h4-8H,1-3H2
InChIKeyWEZUOOFRMBQHRB-UHFFFAOYSA-N
XLogP0.65
TPSA68.09 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Analyze cyclobutylpentazolidine with MolForge

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

Launch Full Analysis

Related Compounds

9-cyclobutyl-9-azabicyclo[3.3.1]nonane
CID 23151237
8-cyclobutyl-8-azabicyclo[3.2.1]octane
CID 23151234
(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
CID 166077594
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
9-oxido-9-azabicyclo[3.3.1]nonane
CID 13291860
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
3,9-diazabicyclo[3.3.1]nonan-9-amine
CID 155383691
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985

Frequently Asked Questions

What is the IUPAC name of cyclobutylpentazolidine?
The IUPAC name of cyclobutylpentazolidine (CID 175094284) is cyclobutylpentazolidine.
What is the SMILES notation for cyclobutylpentazolidine?
The canonical SMILES for cyclobutylpentazolidine is C1CC(n2[nH][nH][nH][nH]2)C1.
What is the InChIKey of cyclobutylpentazolidine?
The InChIKey is WEZUOOFRMBQHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-2-4(3-1)9-7-5-6-8-9/h4-8H,1-3H2.
What are the key properties of cyclobutylpentazolidine?
cyclobutylpentazolidine has a molecular weight of 129.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylpentazolidine is sourced from PubChem (CID 175094284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).