9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine

C10H9BrN4 — CID 56588970

IUPAC9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine
SMILESBrc1ccc2c(c1)-n1nncc1CNC2
InChIInChI=1S/C10H9BrN4/c11-8-2-1-7-4-12-5-9-6-13-14-15(9)10(7)3-8/h1-3,6,12H,4-5H2
InChIKeyORGLMFIHTQFLIW-UHFFFAOYSA-N
MW265.11 g/mol
LogP1.63
Rot. Bonds

About 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine

9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine (PubChem CID 56588970) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine
PubChem CID56588970
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine
SMILESBrc1ccc2c(c1)-n1nncc1CNC2
InChIInChI=1S/C10H9BrN4/c11-8-2-1-7-4-12-5-9-6-13-14-15(9)10(7)3-8/h1-3,6,12H,4-5H2
InChIKeyORGLMFIHTQFLIW-UHFFFAOYSA-N
XLogP1.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine (CID 56588970) is 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine is Brc1ccc2c(c1)-n1nncc1CNC2.
What is the InChIKey of 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is ORGLMFIHTQFLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-8-2-1-7-4-12-5-9-6-13-14-15(9)10(7)3-8/h1-3,6,12H,4-5H2.
What are the key properties of 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine?
9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 265.11 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5,6-dihydro-4H-triazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 56588970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).