4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

C15H14N4O2 — CID 6159592

IUPAC4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
SMILESO=c1n(/N=C\c2ccccc2)c(=O)n2n1C1C=CC2CC1
InChIInChI=1S/C15H14N4O2/c20-14-17(16-10-11-4-2-1-3-5-11)15(21)19-13-7-6-12(8-9-13)18(14)19/h1-7,10,12-13H,8-9H2/b16-10-
InChIKeyCXWIGQCGZYLJJW-YBEGLDIGSA-N
MW282.30 g/mol
LogP1.14
Rot. Bonds2

About 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione (PubChem CID 6159592) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
PubChem CID6159592
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
SMILESO=c1n(/N=C\c2ccccc2)c(=O)n2n1C1C=CC2CC1
InChIInChI=1S/C15H14N4O2/c20-14-17(16-10-11-4-2-1-3-5-11)15(21)19-13-7-6-12(8-9-13)18(14)19/h1-7,10,12-13H,8-9H2/b16-10-
InChIKeyCXWIGQCGZYLJJW-YBEGLDIGSA-N
XLogP1.14
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione 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

5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-2-[[(1E)-phenylmethylene]amino]-
CID 5469638
4-(Benzylideneamino)-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 391635
(1R,7S)-4-methyl-8-phenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 10378382

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The IUPAC name of 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione (CID 6159592) is 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
What is the SMILES notation for 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The canonical SMILES for 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is O=c1n(/N=C\c2ccccc2)c(=O)n2n1C1C=CC2CC1.
What is the InChIKey of 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The InChIKey is CXWIGQCGZYLJJW-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-14-17(16-10-11-4-2-1-3-5-11)15(21)19-13-7-6-12(8-9-13)18(14)19/h1-7,10,12-13H,8-9H2/b16-10-.
What are the key properties of 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione has a molecular weight of 282.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is sourced from PubChem (CID 6159592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).