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

C23H20N4 — CID 46902428

IUPAC5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESc1ccc(-c2ccc(CN3Cc4ccccc4-n4nncc4C3)cc2)cc1
InChIInChI=1S/C23H20N4/c1-2-6-19(7-3-1)20-12-10-18(11-13-20)15-26-16-21-8-4-5-9-23(21)27-22(17-26)14-24-25-27/h1-14H,15-17H2
InChIKeyCEHIHNMSRDYIKB-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.45
Rot. Bonds3

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

5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 46902428) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID46902428
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESc1ccc(-c2ccc(CN3Cc4ccccc4-n4nncc4C3)cc2)cc1
InChIInChI=1S/C23H20N4/c1-2-6-19(7-3-1)20-12-10-18(11-13-20)15-26-16-21-8-4-5-9-23(21)27-22(17-26)14-24-25-27/h1-14H,15-17H2
InChIKeyCEHIHNMSRDYIKB-UHFFFAOYSA-N
XLogP4.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 46902428) is 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is c1ccc(-c2ccc(CN3Cc4ccccc4-n4nncc4C3)cc2)cc1.
What is the InChIKey of 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is CEHIHNMSRDYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-2-6-19(7-3-1)20-12-10-18(11-13-20)15-26-16-21-8-4-5-9-23(21)27-22(17-26)14-24-25-27/h1-14H,15-17H2.
What are the key properties of 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 352.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 46902428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).