6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane

C16H21N3O — CID 91232887

IUPAC6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane
SMILESCC.CC.O=C1Nc2ccccc2Cc2nnccc21
InChIInChI=1S/C12H9N3O.2C2H6/c16-12-9-5-6-13-15-11(9)7-8-3-1-2-4-10(8)14-12;2*1-2/h1-6H,7H2,(H,14,16);2*1-2H3
InChIKeyFZOPSBUXMANIKT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.69
Rot. Bonds

About 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane

6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane (PubChem CID 91232887) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane.

Molecular Properties

Compound Name6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane
PubChem CID91232887
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane
SMILESCC.CC.O=C1Nc2ccccc2Cc2nnccc21
InChIInChI=1S/C12H9N3O.2C2H6/c16-12-9-5-6-13-15-11(9)7-8-3-1-2-4-10(8)14-12;2*1-2/h1-6H,7H2,(H,14,16);2*1-2H3
InChIKeyFZOPSBUXMANIKT-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54350510
8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
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1,3-dihydroindol-2-one;trihydrochloride
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CID 91307302
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850
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(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one
CID 143664951
5,10-dihydrobenzo[b][1,6]naphthyridine;ethane
CID 90710187
6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one
CID 11775838
ethane;2-methylidene-1,3-dihydroindole
CID 91594681
6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
CID 58901622

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane?
The IUPAC name of 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane (CID 91232887) is 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane.
What is the SMILES notation for 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane?
The canonical SMILES for 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane is CC.CC.O=C1Nc2ccccc2Cc2nnccc21.
What is the InChIKey of 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane?
The InChIKey is FZOPSBUXMANIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O.2C2H6/c16-12-9-5-6-13-15-11(9)7-8-3-1-2-4-10(8)14-12;2*1-2/h1-6H,7H2,(H,14,16);2*1-2H3.
What are the key properties of 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane?
6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane has a molecular weight of 271.36 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydropyridazino[4,3-c][1]benzazepin-5-one;ethane is sourced from PubChem (CID 91232887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).