5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

C19H20N4O — CID 44825493

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCOc1ccc(CN2Cc3cnnn3-c3ccccc3C2C)cc1
InChIInChI=1S/C19H20N4O/c1-14-18-5-3-4-6-19(18)23-16(11-20-21-23)13-22(14)12-15-7-9-17(24-2)10-8-15/h3-11,14H,12-13H2,1-2H3
InChIKeyXLQBDOTUBYHNRZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.35
Rot. Bonds3

About 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 44825493) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID44825493
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCOc1ccc(CN2Cc3cnnn3-c3ccccc3C2C)cc1
InChIInChI=1S/C19H20N4O/c1-14-18-5-3-4-6-19(18)23-16(11-20-21-23)13-22(14)12-15-7-9-17(24-2)10-8-15/h3-11,14H,12-13H2,1-2H3
InChIKeyXLQBDOTUBYHNRZ-UHFFFAOYSA-N
XLogP3.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine 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 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 44825493) is 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is COc1ccc(CN2Cc3cnnn3-c3ccccc3C2C)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is XLQBDOTUBYHNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-18-5-3-4-6-19(18)23-16(11-20-21-23)13-22(14)12-15-7-9-17(24-2)10-8-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 320.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 44825493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).