1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine

C8H7N3 — CID 143554696

IUPAC1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine
SMILES[H]/N=C(\C)c1ccc2c(c1)N=N2
InChIInChI=1S/C8H7N3/c1-5(9)6-2-3-7-8(4-6)11-10-7/h2-4,9H,1H3/b9-5+
InChIKeyMWIFXGNLEVXLCB-WEVVVXLNSA-N
MW145.16 g/mol
LogP2.80
Rot. Bonds1

About 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine

1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine (PubChem CID 143554696) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine.

Molecular Properties

Compound Name1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine
PubChem CID143554696
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine
SMILES[H]/N=C(\C)c1ccc2c(c1)N=N2
InChIInChI=1S/C8H7N3/c1-5(9)6-2-3-7-8(4-6)11-10-7/h2-4,9H,1H3/b9-5+
InChIKeyMWIFXGNLEVXLCB-WEVVVXLNSA-N
XLogP2.80
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine 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 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine?
The IUPAC name of 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine (CID 143554696) is 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine.
What is the SMILES notation for 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine?
The canonical SMILES for 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine is [H]/N=C(\C)c1ccc2c(c1)N=N2.
What is the InChIKey of 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine?
The InChIKey is MWIFXGNLEVXLCB-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H7N3/c1-5(9)6-2-3-7-8(4-6)11-10-7/h2-4,9H,1H3/b9-5+.
What are the key properties of 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine?
1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine has a molecular weight of 145.16 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine is sourced from PubChem (CID 143554696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).