5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

C17H15FN4 — CID 46902433

IUPAC5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESFc1ccccc1CN1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C17H15FN4/c18-16-7-3-1-5-13(16)10-21-11-14-6-2-4-8-17(14)22-15(12-21)9-19-20-22/h1-9H,10-12H2
InChIKeyNBOVAXSOXFXURW-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.92
Rot. Bonds2

About 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 46902433) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID46902433
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESFc1ccccc1CN1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C17H15FN4/c18-16-7-3-1-5-13(16)10-21-11-14-6-2-4-8-17(14)22-15(12-21)9-19-20-22/h1-9H,10-12H2
InChIKeyNBOVAXSOXFXURW-UHFFFAOYSA-N
XLogP2.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 46902433) is 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is Fc1ccccc1CN1Cc2ccccc2-n2nncc2C1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is NBOVAXSOXFXURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c18-16-7-3-1-5-13(16)10-21-11-14-6-2-4-8-17(14)22-15(12-21)9-19-20-22/h1-9H,10-12H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 294.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 46902433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).