5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

C20H22N4 — CID 51360932

IUPAC5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCC(C)CN1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1
InChIInChI=1S/C20H22N4/c1-15(2)12-23-13-18-10-17(16-6-4-3-5-7-16)8-9-20(18)24-19(14-23)11-21-22-24/h3-11,15H,12-14H2,1-2H3
InChIKeyCDLDSUDQXGOMIF-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.91
Rot. Bonds3

About 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 51360932) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID51360932
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCC(C)CN1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1
InChIInChI=1S/C20H22N4/c1-15(2)12-23-13-18-10-17(16-6-4-3-5-7-16)8-9-20(18)24-19(14-23)11-21-22-24/h3-11,15H,12-14H2,1-2H3
InChIKeyCDLDSUDQXGOMIF-UHFFFAOYSA-N
XLogP3.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 51360932) is 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is CC(C)CN1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1.
What is the InChIKey of 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is CDLDSUDQXGOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(2)12-23-13-18-10-17(16-6-4-3-5-7-16)8-9-20(18)24-19(14-23)11-21-22-24/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 318.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 51360932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).