pyridazino[4,3-c][1,5]benzodiazepin-5-one

C11H6N4O — CID 21147048

IUPACpyridazino[4,3-c][1,5]benzodiazepin-5-one
SMILESO=c1nc2ccccc2nc2nnccc12
InChIInChI=1S/C11H6N4O/c16-11-7-5-6-12-15-10(7)13-8-3-1-2-4-9(8)14-11/h1-6H
InChIKeyMNFKOLCFYHAKOU-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.93
Rot. Bonds

About pyridazino[4,3-c][1,5]benzodiazepin-5-one

pyridazino[4,3-c][1,5]benzodiazepin-5-one (PubChem CID 21147048) has the molecular formula C11H6N4O and a molecular weight of 210.20 g/mol. Its IUPAC name is pyridazino[4,3-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Namepyridazino[4,3-c][1,5]benzodiazepin-5-one
PubChem CID21147048
Molecular FormulaC11H6N4O
Molecular Weight210.20 g/mol
Exact Mass210.05
IUPAC Namepyridazino[4,3-c][1,5]benzodiazepin-5-one
SMILESO=c1nc2ccccc2nc2nnccc12
InChIInChI=1S/C11H6N4O/c16-11-7-5-6-12-15-10(7)13-8-3-1-2-4-9(8)14-11/h1-6H
InChIKeyMNFKOLCFYHAKOU-UHFFFAOYSA-N
XLogP0.93
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyridazino[4,3-c][1,5]benzodiazepin-5-one 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 pyridazino[4,3-c][1,5]benzodiazepin-5-one?
The IUPAC name of pyridazino[4,3-c][1,5]benzodiazepin-5-one (CID 21147048) is pyridazino[4,3-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for pyridazino[4,3-c][1,5]benzodiazepin-5-one?
The canonical SMILES for pyridazino[4,3-c][1,5]benzodiazepin-5-one is O=c1nc2ccccc2nc2nnccc12.
What is the InChIKey of pyridazino[4,3-c][1,5]benzodiazepin-5-one?
The InChIKey is MNFKOLCFYHAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O/c16-11-7-5-6-12-15-10(7)13-8-3-1-2-4-9(8)14-11/h1-6H.
What are the key properties of pyridazino[4,3-c][1,5]benzodiazepin-5-one?
pyridazino[4,3-c][1,5]benzodiazepin-5-one has a molecular weight of 210.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazino[4,3-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 21147048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).