7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

C17H19N5O4 — CID 18697755

IUPAC7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESO=c1[nH]c2cc(OCCCN3CCOCC3)ccc2c(=O)c2n[nH]nc12
InChIInChI=1S/C17H19N5O4/c23-16-12-3-2-11(26-7-1-4-22-5-8-25-9-6-22)10-13(12)18-17(24)15-14(16)19-21-20-15/h2-3,10H,1,4-9H2,(H,18,24)(H,19,20,21)
InChIKeyBUYLJVUUGVJBBY-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.26
Rot. Bonds5

About 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (PubChem CID 18697755) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.

Molecular Properties

Compound Name7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
PubChem CID18697755
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESO=c1[nH]c2cc(OCCCN3CCOCC3)ccc2c(=O)c2n[nH]nc12
InChIInChI=1S/C17H19N5O4/c23-16-12-3-2-11(26-7-1-4-22-5-8-25-9-6-22)10-13(12)18-17(24)15-14(16)19-21-20-15/h2-3,10H,1,4-9H2,(H,18,24)(H,19,20,21)
InChIKeyBUYLJVUUGVJBBY-UHFFFAOYSA-N
XLogP0.26
TPSA113.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione 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 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The IUPAC name of 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (CID 18697755) is 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.
What is the SMILES notation for 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The canonical SMILES for 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is O=c1[nH]c2cc(OCCCN3CCOCC3)ccc2c(=O)c2n[nH]nc12.
What is the InChIKey of 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The InChIKey is BUYLJVUUGVJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-16-12-3-2-11(26-7-1-4-22-5-8-25-9-6-22)10-13(12)18-17(24)15-14(16)19-21-20-15/h2-3,10H,1,4-9H2,(H,18,24)(H,19,20,21).
What are the key properties of 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione has a molecular weight of 357.37 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is sourced from PubChem (CID 18697755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).