Tetrazepam

C₁₆H₁₇ClN₂O — CID 25215

About Tetrazepam

Tetrazepam (PubChem CID 25215) has the molecular formula C₁₆H₁₇ClN₂O and a molecular weight of 288.78 g/mol. Its IUPAC name is 7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: Tetrazepam
• PubChem CID: 25215
• Molecular Formula: C₁₆H₁₇ClN₂O
• Molecular Weight: 288.78 g/mol
• Exact Mass: 288.10
• IUPAC Name: 7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
• SMILES: CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21
• InChI: InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3
• InChIKey: IQWYAQCHYZHJOS-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 32.67 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.78
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Tetrazepam?

The IUPAC name of Tetrazepam (CID 25215) is 7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one.

What is the SMILES notation for Tetrazepam?

The canonical SMILES for Tetrazepam is CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21.

What is the InChIKey of Tetrazepam?

The InChIKey is IQWYAQCHYZHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3.

What are the key properties of Tetrazepam?

Tetrazepam has a molecular weight of 288.78 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tetrazepam is sourced from PubChem (CID 25215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25215 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2614 — approved-drug record (CC BY-SA 4.0)

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