4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine

C10H11N3 — CID 123636454

IUPAC4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine
SMILESNc1cc2c(cc1N1CCC1)=NC=2
InChIInChI=1S/C10H11N3/c11-8-4-7-6-12-9(7)5-10(8)13-2-1-3-13/h4-6H,1-3,11H2
InChIKeySUJZRYOPVXTGKY-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.15
Rot. Bonds1

About 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine

4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine (PubChem CID 123636454) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine
PubChem CID123636454
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine
SMILESNc1cc2c(cc1N1CCC1)=NC=2
InChIInChI=1S/C10H11N3/c11-8-4-7-6-12-9(7)5-10(8)13-2-1-3-13/h4-6H,1-3,11H2
InChIKeySUJZRYOPVXTGKY-UHFFFAOYSA-N
XLogP-0.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine 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

4-N-[2-(dimethylamino)ethyl]-4-N-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3,4-diamine
CID 123206770
4-N-methyl-4-N-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3,4-diamine
CID 123899536

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine?
The IUPAC name of 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine (CID 123636454) is 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine?
The canonical SMILES for 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine is Nc1cc2c(cc1N1CCC1)=NC=2.
What is the InChIKey of 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine?
The InChIKey is SUJZRYOPVXTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-8-4-7-6-12-9(7)5-10(8)13-2-1-3-13/h4-6H,1-3,11H2.
What are the key properties of 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine?
4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine has a molecular weight of 173.22 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine is sourced from PubChem (CID 123636454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).