8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

C17H19N3O — CID 66993315

IUPAC8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESc1ccc(CN2CCOc3nc(C4CC4)cnc3C2)cc1
InChIInChI=1S/C17H19N3O/c1-2-4-13(5-3-1)11-20-8-9-21-17-16(12-20)18-10-15(19-17)14-6-7-14/h1-5,10,14H,6-9,11-12H2
InChIKeyIYKDDGVLPNKIGS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.75
Rot. Bonds3

About 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (PubChem CID 66993315) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
PubChem CID66993315
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESc1ccc(CN2CCOc3nc(C4CC4)cnc3C2)cc1
InChIInChI=1S/C17H19N3O/c1-2-4-13(5-3-1)11-20-8-9-21-17-16(12-20)18-10-15(19-17)14-6-7-14/h1-5,10,14H,6-9,11-12H2
InChIKeyIYKDDGVLPNKIGS-UHFFFAOYSA-N
XLogP2.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine 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 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The IUPAC name of 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (CID 66993315) is 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.
What is the SMILES notation for 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The canonical SMILES for 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is c1ccc(CN2CCOc3nc(C4CC4)cnc3C2)cc1.
What is the InChIKey of 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The InChIKey is IYKDDGVLPNKIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-4-13(5-3-1)11-20-8-9-21-17-16(12-20)18-10-15(19-17)14-6-7-14/h1-5,10,14H,6-9,11-12H2.
What are the key properties of 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine has a molecular weight of 281.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-cyclopropyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is sourced from PubChem (CID 66993315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).