2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one

C17H22N4O2 — CID 21484998

IUPAC2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one
SMILESO=c1n(CCN2CCOCC2)nc2n1CCc1ccccc1C2
InChIInChI=1S/C17H22N4O2/c22-17-20-6-5-14-3-1-2-4-15(14)13-16(20)18-21(17)8-7-19-9-11-23-12-10-19/h1-4H,5-13H2
InChIKeyFHSFGLLMRRDGLX-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.52
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one

2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one (PubChem CID 21484998) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one
PubChem CID21484998
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one
SMILESO=c1n(CCN2CCOCC2)nc2n1CCc1ccccc1C2
InChIInChI=1S/C17H22N4O2/c22-17-20-6-5-14-3-1-2-4-15(14)13-16(20)18-21(17)8-7-19-9-11-23-12-10-19/h1-4H,5-13H2
InChIKeyFHSFGLLMRRDGLX-UHFFFAOYSA-N
XLogP0.52
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one with MolForge

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Related Compounds

2-(2-piperidin-1-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[3,4-b][3]benzazepin-3-one
CID 21485014
4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one
CID 115773650
2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 162628333
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 109015672
7-chloro-2-methyl-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one
CID 21485025
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-(4-morpholin-4-ylbutyl)urea
CID 86939027
1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135524528
4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one (CID 21484998) is 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one is O=c1n(CCN2CCOCC2)nc2n1CCc1ccccc1C2.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one?
The InChIKey is FHSFGLLMRRDGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17-20-6-5-14-3-1-2-4-15(14)13-16(20)18-21(17)8-7-19-9-11-23-12-10-19/h1-4H,5-13H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one?
2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one has a molecular weight of 314.39 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one is sourced from PubChem (CID 21484998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).