7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one

C18H16N4O — CID 134833191

IUPAC7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2ccccc21
InChIInChI=1S/C18H16N4O/c1-2-21-15-11-7-6-10-14(15)18-17(13-8-4-3-5-9-13)19-20-22(18)12-16(21)23/h3-11H,2,12H2,1H3
InChIKeyODEILYZSMOORRS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.98
Rot. Bonds2

About 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one

7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (PubChem CID 134833191) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
PubChem CID134833191
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2ccccc21
InChIInChI=1S/C18H16N4O/c1-2-21-15-11-7-6-10-14(15)18-17(13-8-4-3-5-9-13)19-20-22(18)12-16(21)23/h3-11H,2,12H2,1H3
InChIKeyODEILYZSMOORRS-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-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 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The IUPAC name of 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (CID 134833191) is 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is CCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2ccccc21.
What is the InChIKey of 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The InChIKey is ODEILYZSMOORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-21-15-11-7-6-10-14(15)18-17(13-8-4-3-5-9-13)19-20-22(18)12-16(21)23/h3-11H,2,12H2,1H3.
What are the key properties of 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one has a molecular weight of 304.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 134833191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).