3-(cyclopropylamino)azetidine-3-carbonitrile

C7H11N3 — CID 79308446

IUPAC3-(cyclopropylamino)azetidine-3-carbonitrile
SMILESN#CC1(NC2CC2)CNC1
InChIInChI=1S/C7H11N3/c8-3-7(4-9-5-7)10-6-1-2-6/h6,9-10H,1-2,4-5H2
InChIKeyYIZDSPVGHWFVGS-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.40
Rot. Bonds2

About 3-(cyclopropylamino)azetidine-3-carbonitrile

3-(cyclopropylamino)azetidine-3-carbonitrile (PubChem CID 79308446) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-(cyclopropylamino)azetidine-3-carbonitrile.

Molecular Properties

Compound Name3-(cyclopropylamino)azetidine-3-carbonitrile
PubChem CID79308446
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-(cyclopropylamino)azetidine-3-carbonitrile
SMILESN#CC1(NC2CC2)CNC1
InChIInChI=1S/C7H11N3/c8-3-7(4-9-5-7)10-6-1-2-6/h6,9-10H,1-2,4-5H2
InChIKeyYIZDSPVGHWFVGS-UHFFFAOYSA-N
XLogP-0.40
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopropylamino)azetidine-3-carbonitrile 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-(cyclopropylamino)azetidine-3-carbonitrile?
The IUPAC name of 3-(cyclopropylamino)azetidine-3-carbonitrile (CID 79308446) is 3-(cyclopropylamino)azetidine-3-carbonitrile.
What is the SMILES notation for 3-(cyclopropylamino)azetidine-3-carbonitrile?
The canonical SMILES for 3-(cyclopropylamino)azetidine-3-carbonitrile is N#CC1(NC2CC2)CNC1.
What is the InChIKey of 3-(cyclopropylamino)azetidine-3-carbonitrile?
The InChIKey is YIZDSPVGHWFVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-3-7(4-9-5-7)10-6-1-2-6/h6,9-10H,1-2,4-5H2.
What are the key properties of 3-(cyclopropylamino)azetidine-3-carbonitrile?
3-(cyclopropylamino)azetidine-3-carbonitrile has a molecular weight of 137.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)azetidine-3-carbonitrile is sourced from PubChem (CID 79308446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).