1,9-dihydropyrazolo[1,2-a]diazepine

C₈H₁₀N₂ — CID 54506915

About 1,9-dihydropyrazolo[1,2-a]diazepine

1,9-dihydropyrazolo[1,2-a]diazepine (PubChem CID 54506915) has the molecular formula C₈H₁₀N₂ and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,9-dihydropyrazolo[1,2-a]diazepine.

Molecular Properties

• Compound Name: 1,9-dihydropyrazolo[1,2-a]diazepine
• PubChem CID: 54506915
• Molecular Formula: C₈H₁₀N₂
• Molecular Weight: 134.18 g/mol
• Exact Mass: 134.08
• IUPAC Name: 1,9-dihydropyrazolo[1,2-a]diazepine
• SMILES: C1=CCN2CC=CN2C=C1
• InChI: InChI=1S/C8H10N2/c1-2-5-9-7-4-8-10(9)6-3-1/h1-5,7H,6,8H2
• InChIKey: YGJMWNNIFACQAC-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	134.18
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydropyrazolo[1,2-a]diazepine?

The IUPAC name of 1,9-dihydropyrazolo[1,2-a]diazepine (CID 54506915) is 1,9-dihydropyrazolo[1,2-a]diazepine.

What is the SMILES notation for 1,9-dihydropyrazolo[1,2-a]diazepine?

The canonical SMILES for 1,9-dihydropyrazolo[1,2-a]diazepine is C1=CCN2CC=CN2C=C1.

What is the InChIKey of 1,9-dihydropyrazolo[1,2-a]diazepine?

The InChIKey is YGJMWNNIFACQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-5-9-7-4-8-10(9)6-3-1/h1-5,7H,6,8H2.

What are the key properties of 1,9-dihydropyrazolo[1,2-a]diazepine?

1,9-dihydropyrazolo[1,2-a]diazepine has a molecular weight of 134.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,9-dihydropyrazolo[1,2-a]diazepine is sourced from PubChem (CID 54506915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54506915 — identifiers, structure, computed properties (public domain)

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