5-cyclohexyltriazolo[4,5-a][3]benzazepine

C16H16N4 — CID 154487701

IUPAC5-cyclohexyltriazolo[4,5-a][3]benzazepine
SMILESc1ccc2c3nnnc-3nc(C3CCCCC3)cc2c1
InChIInChI=1S/C16H16N4/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-16(17-14)19-20-18-15/h4-5,8-11H,1-3,6-7H2
InChIKeyQMPZTONWRGUNJX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.57
Rot. Bonds1

About 5-cyclohexyltriazolo[4,5-a][3]benzazepine

5-cyclohexyltriazolo[4,5-a][3]benzazepine (PubChem CID 154487701) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-cyclohexyltriazolo[4,5-a][3]benzazepine.

Molecular Properties

Compound Name5-cyclohexyltriazolo[4,5-a][3]benzazepine
PubChem CID154487701
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-cyclohexyltriazolo[4,5-a][3]benzazepine
SMILESc1ccc2c3nnnc-3nc(C3CCCCC3)cc2c1
InChIInChI=1S/C16H16N4/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-16(17-14)19-20-18-15/h4-5,8-11H,1-3,6-7H2
InChIKeyQMPZTONWRGUNJX-UHFFFAOYSA-N
XLogP3.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyltriazolo[4,5-a][3]benzazepine?
The IUPAC name of 5-cyclohexyltriazolo[4,5-a][3]benzazepine (CID 154487701) is 5-cyclohexyltriazolo[4,5-a][3]benzazepine.
What is the SMILES notation for 5-cyclohexyltriazolo[4,5-a][3]benzazepine?
The canonical SMILES for 5-cyclohexyltriazolo[4,5-a][3]benzazepine is c1ccc2c3nnnc-3nc(C3CCCCC3)cc2c1.
What is the InChIKey of 5-cyclohexyltriazolo[4,5-a][3]benzazepine?
The InChIKey is QMPZTONWRGUNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-16(17-14)19-20-18-15/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 5-cyclohexyltriazolo[4,5-a][3]benzazepine?
5-cyclohexyltriazolo[4,5-a][3]benzazepine has a molecular weight of 264.33 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyltriazolo[4,5-a][3]benzazepine is sourced from PubChem (CID 154487701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).