2,7-dimethyl-3,3a-dihydroindazole

C₉H₁₂N₂ — CID 90251212

About 2,7-dimethyl-3,3a-dihydroindazole

2,7-dimethyl-3,3a-dihydroindazole (PubChem CID 90251212) has the molecular formula C₉H₁₂N₂ and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,7-dimethyl-3,3a-dihydroindazole.

Molecular Properties

• Compound Name: 2,7-dimethyl-3,3a-dihydroindazole
• PubChem CID: 90251212
• Molecular Formula: C₉H₁₂N₂
• Molecular Weight: 148.21 g/mol
• Exact Mass: 148.10
• IUPAC Name: 2,7-dimethyl-3,3a-dihydroindazole
• SMILES: CC1=CC=CC2CN(C)N=C12
• InChI: InChI=1S/C9H12N2/c1-7-4-3-5-8-6-11(2)10-9(7)8/h3-5,8H,6H2,1-2H3
• InChIKey: LSSWLLPETPXBFV-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	148.21
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3,3a-dihydroindazole?

The IUPAC name of 2,7-dimethyl-3,3a-dihydroindazole (CID 90251212) is 2,7-dimethyl-3,3a-dihydroindazole.

What is the SMILES notation for 2,7-dimethyl-3,3a-dihydroindazole?

The canonical SMILES for 2,7-dimethyl-3,3a-dihydroindazole is CC1=CC=CC2CN(C)N=C12.

What is the InChIKey of 2,7-dimethyl-3,3a-dihydroindazole?

The InChIKey is LSSWLLPETPXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-4-3-5-8-6-11(2)10-9(7)8/h3-5,8H,6H2,1-2H3.

What are the key properties of 2,7-dimethyl-3,3a-dihydroindazole?

2,7-dimethyl-3,3a-dihydroindazole has a molecular weight of 148.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-3,3a-dihydroindazole is sourced from PubChem (CID 90251212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90251212 — identifiers, structure, computed properties (public domain)

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