5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one

C11H10N4O — CID 11401618

IUPAC5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2cnnn2-c2ccccc2C1=O
InChIInChI=1S/C11H10N4O/c1-14-7-8-6-12-13-15(8)10-5-3-2-4-9(10)11(14)16/h2-6H,7H2,1H3
InChIKeyMLDLMRNRBVSGLW-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.85
Rot. Bonds

About 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one

5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 11401618) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID11401618
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2cnnn2-c2ccccc2C1=O
InChIInChI=1S/C11H10N4O/c1-14-7-8-6-12-13-15(8)10-5-3-2-4-9(10)11(14)16/h2-6H,7H2,1H3
InChIKeyMLDLMRNRBVSGLW-UHFFFAOYSA-N
XLogP0.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4H-triazolo[1,5-a][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 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one (CID 11401618) is 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one is CN1Cc2cnnn2-c2ccccc2C1=O.
What is the InChIKey of 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is MLDLMRNRBVSGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-14-7-8-6-12-13-15(8)10-5-3-2-4-9(10)11(14)16/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one?
5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 214.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 11401618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).